4-[4-(10-dibenzofuran-3-yl-15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-N-pyridin-3-ylanilino]benzonitrile;4-[4-(10-dibenzothiophen-3-yl-15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-N-naphthalen-1-ylanilino]benzonitrile;4-(N-[4-(10-dibenzothiophen-3-yl-15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]anilino)benzonitrile;4-[4-(10-dibenzothiophen-3-yl-15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-N-quinolin-8-ylanilino]benzonitrile;4-(N-[4-(15,15-dimethyl-10-pyridin-2-yl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]anilino)benzonitrile

C239H159N13OS3 — CID 165021544

IUPAC4-[4-(10-dibenzofuran-3-yl-15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-N-pyridin-3-ylanilino]benzonitrile;4-[4-(10-dibenzothiophen-3-yl-15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-N-naphthalen-1-ylanilino]benzonitrile;4-(N-[4-(10-dibenzothiophen-3-yl-15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]anilino)benzonitrile;4-[4-(10-dibenzothiophen-3-yl-15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-N-quinolin-8-ylanilino]benzonitrile;4-(N-[4-(15,15-dimethyl-10-pyridin-2-yl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]anilino)benzonitrile
SMILESCC1(C)c2cc(-c3ccc(N(c4ccc(C#N)cc4)c4cccc5ccccc45)cc3)cc3ccc4cc(-c5ccc6c(c5)sc5ccccc56)cc1c4c23.CC1(C)c2cc(-c3ccc(N(c4ccc(C#N)cc4)c4cccc5cccnc45)cc3)cc3ccc4cc(-c5ccc6c(c5)sc5ccccc56)cc1c4c23.CC1(C)c2cc(-c3ccc(N(c4ccc(C#N)cc4)c4cccnc4)cc3)cc3ccc4cc(-c5ccc6c(c5)oc5ccccc56)cc1c4c23.CC1(C)c2cc(-c3ccc(N(c4ccccc4)c4ccc(C#N)cc4)cc3)cc3ccc4cc(-c5ccc6c(c5)sc5ccccc56)cc1c4c23.CC1(C)c2cc(-c3ccc(N(c4ccccc4)c4ccc(C#N)cc4)cc3)cc3ccc4cc(-c5ccccn5)cc1c4c23
InChIInChI=1S/C52H34N2S.C51H33N3S.C48H32N2S.C47H31N3O.C41H29N3/c1-52(2)45-28-38(33-18-23-41(24-19-33)54(40-21-14-32(31-53)15-22-40)47-12-7-9-34-8-3-4-10-42(34)47)26-36-16-17-37-27-39(29-46(52)51(37)50(36)45)35-20-25-44-43-11-5-6-13-48(43)55-49(44)30-35;1-51(2)43-27-37(32-16-21-40(22-17-32)54(39-19-12-31(30-52)13-20-39)45-10-5-7-33-8-6-24-53-50(33)45)25-35-14-15-36-26-38(28-44(51)49(36)48(35)43)34-18-23-42-41-9-3-4-11-46(41)55-47(42)29-34;1-48(2)42-26-35(31-16-21-39(22-17-31)50(37-8-4-3-5-9-37)38-19-12-30(29-49)13-20-38)24-33-14-15-34-25-36(27-43(48)47(34)46(33)42)32-18-23-41-40-10-6-7-11-44(40)51-45(41)28-32;1-47(2)41-24-34(30-13-18-37(19-14-30)50(38-6-5-21-49-28-38)36-16-9-29(27-48)10-17-36)22-32-11-12-33-23-35(25-42(47)46(33)45(32)41)31-15-20-40-39-7-3-4-8-43(39)51-44(40)26-31;1-41(2)36-24-31(22-29-13-14-30-23-32(38-10-6-7-21-43-38)25-37(41)40(30)39(29)36)28-15-19-35(20-16-28)44(33-8-4-3-5-9-33)34-17-11-27(26-42)12-18-34/h3-30H,1-2H3;3-29H,1-2H3;3-28H,1-2H3;3-26,28H,1-2H3;3-25H,1-2H3
InChIKeyLFQZHXRVNFWTIS-UHFFFAOYSA-N
MW3325.19 g/mol
LogP66.03
Rot. Bonds25

About 4-[4-(10-dibenzofuran-3-yl-15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-N-pyridin-3-ylanilino]benzonitrile;4-[4-(10-dibenzothiophen-3-yl-15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-N-naphthalen-1-ylanilino]benzonitrile;4-(N-[4-(10-dibenzothiophen-3-yl-15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]anilino)benzonitrile;4-[4-(10-dibenzothiophen-3-yl-15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-N-quinolin-8-ylanilino]benzonitrile;4-(N-[4-(15,15-dimethyl-10-pyridin-2-yl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]anilino)benzonitrile

4-[4-(10-dibenzofuran-3-yl-15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-N-pyridin-3-ylanilino]benzonitrile;4-[4-(10-dibenzothiophen-3-yl-15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-N-naphthalen-1-ylanilino]benzonitrile;4-(N-[4-(10-dibenzothiophen-3-yl-15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]anilino)benzonitrile;4-[4-(10-dibenzothiophen-3-yl-15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-N-quinolin-8-ylanilino]benzonitrile;4-(N-[4-(15,15-dimethyl-10-pyridin-2-yl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]anilino)benzonitrile (PubChem CID 165021544) has the molecular formula C239H159N13OS3 and a molecular weight of 3325.19 g/mol. Its IUPAC name is 4-[4-(10-dibenzofuran-3-yl-15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-N-pyridin-3-ylanilino]benzonitrile;4-[4-(10-dibenzothiophen-3-yl-15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-N-naphthalen-1-ylanilino]benzonitrile;4-(N-[4-(10-dibenzothiophen-3-yl-15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]anilino)benzonitrile;4-[4-(10-dibenzothiophen-3-yl-15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-N-quinolin-8-ylanilino]benzonitrile;4-(N-[4-(15,15-dimethyl-10-pyridin-2-yl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]anilino)benzonitrile.

Molecular Properties

Compound Name4-[4-(10-dibenzofuran-3-yl-15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-N-pyridin-3-ylanilino]benzonitrile;4-[4-(10-dibenzothiophen-3-yl-15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-N-naphthalen-1-ylanilino]benzonitrile;4-(N-[4-(10-dibenzothiophen-3-yl-15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]anilino)benzonitrile;4-[4-(10-dibenzothiophen-3-yl-15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-N-quinolin-8-ylanilino]benzonitrile;4-(N-[4-(15,15-dimethyl-10-pyridin-2-yl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]anilino)benzonitrile
PubChem CID165021544
Molecular FormulaC239H159N13OS3
Molecular Weight3325.19 g/mol
Exact Mass3322.20
IUPAC Name4-[4-(10-dibenzofuran-3-yl-15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-N-pyridin-3-ylanilino]benzonitrile;4-[4-(10-dibenzothiophen-3-yl-15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-N-naphthalen-1-ylanilino]benzonitrile;4-(N-[4-(10-dibenzothiophen-3-yl-15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]anilino)benzonitrile;4-[4-(10-dibenzothiophen-3-yl-15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-N-quinolin-8-ylanilino]benzonitrile;4-(N-[4-(15,15-dimethyl-10-pyridin-2-yl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]anilino)benzonitrile
SMILESCC1(C)c2cc(-c3ccc(N(c4ccc(C#N)cc4)c4cccc5ccccc45)cc3)cc3ccc4cc(-c5ccc6c(c5)sc5ccccc56)cc1c4c23.CC1(C)c2cc(-c3ccc(N(c4ccc(C#N)cc4)c4cccc5cccnc45)cc3)cc3ccc4cc(-c5ccc6c(c5)sc5ccccc56)cc1c4c23.CC1(C)c2cc(-c3ccc(N(c4ccc(C#N)cc4)c4cccnc4)cc3)cc3ccc4cc(-c5ccc6c(c5)oc5ccccc56)cc1c4c23.CC1(C)c2cc(-c3ccc(N(c4ccccc4)c4ccc(C#N)cc4)cc3)cc3ccc4cc(-c5ccc6c(c5)sc5ccccc56)cc1c4c23.CC1(C)c2cc(-c3ccc(N(c4ccccc4)c4ccc(C#N)cc4)cc3)cc3ccc4cc(-c5ccccn5)cc1c4c23
InChIInChI=1S/C52H34N2S.C51H33N3S.C48H32N2S.C47H31N3O.C41H29N3/c1-52(2)45-28-38(33-18-23-41(24-19-33)54(40-21-14-32(31-53)15-22-40)47-12-7-9-34-8-3-4-10-42(34)47)26-36-16-17-37-27-39(29-46(52)51(37)50(36)45)35-20-25-44-43-11-5-6-13-48(43)55-49(44)30-35;1-51(2)43-27-37(32-16-21-40(22-17-32)54(39-19-12-31(30-52)13-20-39)45-10-5-7-33-8-6-24-53-50(33)45)25-35-14-15-36-26-38(28-44(51)49(36)48(35)43)34-18-23-42-41-9-3-4-11-46(41)55-47(42)29-34;1-48(2)42-26-35(31-16-21-39(22-17-31)50(37-8-4-3-5-9-37)38-19-12-30(29-49)13-20-38)24-33-14-15-34-25-36(27-43(48)47(34)46(33)42)32-18-23-41-40-10-6-7-11-44(40)51-45(41)28-32;1-47(2)41-24-34(30-13-18-37(19-14-30)50(38-6-5-21-49-28-38)36-16-9-29(27-48)10-17-36)22-32-11-12-33-23-35(25-42(47)46(33)45(32)41)31-15-20-40-39-7-3-4-8-43(39)51-44(40)26-31;1-41(2)36-24-31(22-29-13-14-30-23-32(38-10-6-7-21-43-38)25-37(41)40(30)39(29)36)28-15-19-35(20-16-28)44(33-8-4-3-5-9-33)34-17-11-27(26-42)12-18-34/h3-30H,1-2H3;3-29H,1-2H3;3-28H,1-2H3;3-26,28H,1-2H3;3-25H,1-2H3
InChIKeyLFQZHXRVNFWTIS-UHFFFAOYSA-N
XLogP66.03
TPSA186.96 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds25
Heavy Atoms256
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003325.19
LogP ≤ 566.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4-[4-(10-dibenzofuran-3-yl-15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-N-pyridin-3-ylanilino]benzonitrile;4-[4-(10-dibenzothiophen-3-yl-15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-N-naphthalen-1-ylanilino]benzonitrile;4-(N-[4-(10-dibenzothiophen-3-yl-15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]anilino)benzonitrile;4-[4-(10-dibenzothiophen-3-yl-15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-N-quinolin-8-ylanilino]benzonitrile;4-(N-[4-(15,15-dimethyl-10-pyridin-2-yl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]anilino)benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(10-dibenzofuran-3-yl-15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-N-pyridin-3-ylanilino]benzonitrile;4-[4-(10-dibenzothiophen-3-yl-15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-N-naphthalen-1-ylanilino]benzonitrile;4-(N-[4-(10-dibenzothiophen-3-yl-15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]anilino)benzonitrile;4-[4-(10-dibenzothiophen-3-yl-15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-N-quinolin-8-ylanilino]benzonitrile;4-(N-[4-(15,15-dimethyl-10-pyridin-2-yl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]anilino)benzonitrile?
The IUPAC name of 4-[4-(10-dibenzofuran-3-yl-15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-N-pyridin-3-ylanilino]benzonitrile;4-[4-(10-dibenzothiophen-3-yl-15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-N-naphthalen-1-ylanilino]benzonitrile;4-(N-[4-(10-dibenzothiophen-3-yl-15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]anilino)benzonitrile;4-[4-(10-dibenzothiophen-3-yl-15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-N-quinolin-8-ylanilino]benzonitrile;4-(N-[4-(15,15-dimethyl-10-pyridin-2-yl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]anilino)benzonitrile (CID 165021544) is 4-[4-(10-dibenzofuran-3-yl-15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-N-pyridin-3-ylanilino]benzonitrile;4-[4-(10-dibenzothiophen-3-yl-15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-N-naphthalen-1-ylanilino]benzonitrile;4-(N-[4-(10-dibenzothiophen-3-yl-15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]anilino)benzonitrile;4-[4-(10-dibenzothiophen-3-yl-15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-N-quinolin-8-ylanilino]benzonitrile;4-(N-[4-(15,15-dimethyl-10-pyridin-2-yl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]anilino)benzonitrile.
What is the SMILES notation for 4-[4-(10-dibenzofuran-3-yl-15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-N-pyridin-3-ylanilino]benzonitrile;4-[4-(10-dibenzothiophen-3-yl-15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-N-naphthalen-1-ylanilino]benzonitrile;4-(N-[4-(10-dibenzothiophen-3-yl-15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]anilino)benzonitrile;4-[4-(10-dibenzothiophen-3-yl-15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-N-quinolin-8-ylanilino]benzonitrile;4-(N-[4-(15,15-dimethyl-10-pyridin-2-yl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]anilino)benzonitrile?
The canonical SMILES for 4-[4-(10-dibenzofuran-3-yl-15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-N-pyridin-3-ylanilino]benzonitrile;4-[4-(10-dibenzothiophen-3-yl-15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-N-naphthalen-1-ylanilino]benzonitrile;4-(N-[4-(10-dibenzothiophen-3-yl-15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]anilino)benzonitrile;4-[4-(10-dibenzothiophen-3-yl-15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-N-quinolin-8-ylanilino]benzonitrile;4-(N-[4-(15,15-dimethyl-10-pyridin-2-yl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]anilino)benzonitrile is CC1(C)c2cc(-c3ccc(N(c4ccc(C#N)cc4)c4cccc5ccccc45)cc3)cc3ccc4cc(-c5ccc6c(c5)sc5ccccc56)cc1c4c23.CC1(C)c2cc(-c3ccc(N(c4ccc(C#N)cc4)c4cccc5cccnc45)cc3)cc3ccc4cc(-c5ccc6c(c5)sc5ccccc56)cc1c4c23.CC1(C)c2cc(-c3ccc(N(c4ccc(C#N)cc4)c4cccnc4)cc3)cc3ccc4cc(-c5ccc6c(c5)oc5ccccc56)cc1c4c23.CC1(C)c2cc(-c3ccc(N(c4ccccc4)c4ccc(C#N)cc4)cc3)cc3ccc4cc(-c5ccc6c(c5)sc5ccccc56)cc1c4c23.CC1(C)c2cc(-c3ccc(N(c4ccccc4)c4ccc(C#N)cc4)cc3)cc3ccc4cc(-c5ccccn5)cc1c4c23.
What is the InChIKey of 4-[4-(10-dibenzofuran-3-yl-15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-N-pyridin-3-ylanilino]benzonitrile;4-[4-(10-dibenzothiophen-3-yl-15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-N-naphthalen-1-ylanilino]benzonitrile;4-(N-[4-(10-dibenzothiophen-3-yl-15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]anilino)benzonitrile;4-[4-(10-dibenzothiophen-3-yl-15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-N-quinolin-8-ylanilino]benzonitrile;4-(N-[4-(15,15-dimethyl-10-pyridin-2-yl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]anilino)benzonitrile?
The InChIKey is LFQZHXRVNFWTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2S.C51H33N3S.C48H32N2S.C47H31N3O.C41H29N3/c1-52(2)45-28-38(33-18-23-41(24-19-33)54(40-21-14-32(31-53)15-22-40)47-12-7-9-34-8-3-4-10-42(34)47)26-36-16-17-37-27-39(29-46(52)51(37)50(36)45)35-20-25-44-43-11-5-6-13-48(43)55-49(44)30-35;1-51(2)43-27-37(32-16-21-40(22-17-32)54(39-19-12-31(30-52)13-20-39)45-10-5-7-33-8-6-24-53-50(33)45)25-35-14-15-36-26-38(28-44(51)49(36)48(35)43)34-18-23-42-41-9-3-4-11-46(41)55-47(42)29-34;1-48(2)42-26-35(31-16-21-39(22-17-31)50(37-8-4-3-5-9-37)38-19-12-30(29-49)13-20-38)24-33-14-15-34-25-36(27-43(48)47(34)46(33)42)32-18-23-41-40-10-6-7-11-44(40)51-45(41)28-32;1-47(2)41-24-34(30-13-18-37(19-14-30)50(38-6-5-21-49-28-38)36-16-9-29(27-48)10-17-36)22-32-11-12-33-23-35(25-42(47)46(33)45(32)41)31-15-20-40-39-7-3-4-8-43(39)51-44(40)26-31;1-41(2)36-24-31(22-29-13-14-30-23-32(38-10-6-7-21-43-38)25-37(41)40(30)39(29)36)28-15-19-35(20-16-28)44(33-8-4-3-5-9-33)34-17-11-27(26-42)12-18-34/h3-30H,1-2H3;3-29H,1-2H3;3-28H,1-2H3;3-26,28H,1-2H3;3-25H,1-2H3.
What are the key properties of 4-[4-(10-dibenzofuran-3-yl-15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-N-pyridin-3-ylanilino]benzonitrile;4-[4-(10-dibenzothiophen-3-yl-15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-N-naphthalen-1-ylanilino]benzonitrile;4-(N-[4-(10-dibenzothiophen-3-yl-15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]anilino)benzonitrile;4-[4-(10-dibenzothiophen-3-yl-15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-N-quinolin-8-ylanilino]benzonitrile;4-(N-[4-(15,15-dimethyl-10-pyridin-2-yl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]anilino)benzonitrile?
4-[4-(10-dibenzofuran-3-yl-15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-N-pyridin-3-ylanilino]benzonitrile;4-[4-(10-dibenzothiophen-3-yl-15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-N-naphthalen-1-ylanilino]benzonitrile;4-(N-[4-(10-dibenzothiophen-3-yl-15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]anilino)benzonitrile;4-[4-(10-dibenzothiophen-3-yl-15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-N-quinolin-8-ylanilino]benzonitrile;4-(N-[4-(15,15-dimethyl-10-pyridin-2-yl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]anilino)benzonitrile has a molecular weight of 3325.19 g/mol, XLogP of 66.03, 25 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(10-dibenzofuran-3-yl-15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-N-pyridin-3-ylanilino]benzonitrile;4-[4-(10-dibenzothiophen-3-yl-15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-N-naphthalen-1-ylanilino]benzonitrile;4-(N-[4-(10-dibenzothiophen-3-yl-15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]anilino)benzonitrile;4-[4-(10-dibenzothiophen-3-yl-15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-N-quinolin-8-ylanilino]benzonitrile;4-(N-[4-(15,15-dimethyl-10-pyridin-2-yl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]anilino)benzonitrile is sourced from PubChem (CID 165021544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).