N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;9-[6-(3,6-diphenylcarbazol-9-yl)pyrazin-2-yl]-3,6-diphenylcarbazole;1-N,1-N,6-N,6-N-tetrakis(3,5-dimethylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine

C160H125N7O2 — CID 160713013

IUPACN,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;9-[6-(3,6-diphenylcarbazol-9-yl)pyrazin-2-yl]-3,6-diphenylcarbazole;1-N,1-N,6-N,6-N-tetrakis(3,5-dimethylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine
SMILESCc1cc(C)cc(N(c2cc(C)cc(C)c2)c2cc(C(C)C)c3ccc4c(N(c5cc(C)cc(C)c5)c5cc(C)cc(C)c5)cc(C(C)C)c5ccc2c3c54)c1.c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)cc2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cncc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)n2)cc1
InChIInChI=1S/C54H56N2.C54H35NO2.C52H34N4/c1-31(2)49-29-51(55(41-21-33(5)17-34(6)22-41)42-23-35(7)18-36(8)24-42)47-16-14-46-50(32(3)4)30-52(48-15-13-45(49)53(47)54(46)48)56(43-25-37(9)19-38(10)26-43)44-27-39(11)20-40(12)28-44;1-2-10-36(11-3-1)37-20-22-38(23-21-37)39-24-30-42(31-25-39)55(43-32-26-40(27-33-43)45-14-8-16-49-47-12-4-6-18-51(47)56-53(45)49)44-34-28-41(29-35-44)46-15-9-17-50-48-13-5-7-19-52(48)57-54(46)50;1-5-13-35(14-6-1)39-21-25-47-43(29-39)44-30-40(36-15-7-2-8-16-36)22-26-48(44)55(47)51-33-53-34-52(54-51)56-49-27-23-41(37-17-9-3-10-18-37)31-45(49)46-32-42(24-28-50(46)56)38-19-11-4-12-20-38/h13-32H,1-12H3;1-35H;1-34H
InChIKeyRSCLFVXJOMSWSU-UHFFFAOYSA-N
MW2177.81 g/mol
LogP45.20
Rot. Bonds21

About N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;9-[6-(3,6-diphenylcarbazol-9-yl)pyrazin-2-yl]-3,6-diphenylcarbazole;1-N,1-N,6-N,6-N-tetrakis(3,5-dimethylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine

N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;9-[6-(3,6-diphenylcarbazol-9-yl)pyrazin-2-yl]-3,6-diphenylcarbazole;1-N,1-N,6-N,6-N-tetrakis(3,5-dimethylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine (PubChem CID 160713013) has the molecular formula C160H125N7O2 and a molecular weight of 2177.81 g/mol. Its IUPAC name is N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;9-[6-(3,6-diphenylcarbazol-9-yl)pyrazin-2-yl]-3,6-diphenylcarbazole;1-N,1-N,6-N,6-N-tetrakis(3,5-dimethylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine.

Molecular Properties

Compound NameN,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;9-[6-(3,6-diphenylcarbazol-9-yl)pyrazin-2-yl]-3,6-diphenylcarbazole;1-N,1-N,6-N,6-N-tetrakis(3,5-dimethylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine
PubChem CID160713013
Molecular FormulaC160H125N7O2
Molecular Weight2177.81 g/mol
Exact Mass2175.99
IUPAC NameN,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;9-[6-(3,6-diphenylcarbazol-9-yl)pyrazin-2-yl]-3,6-diphenylcarbazole;1-N,1-N,6-N,6-N-tetrakis(3,5-dimethylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine
SMILESCc1cc(C)cc(N(c2cc(C)cc(C)c2)c2cc(C(C)C)c3ccc4c(N(c5cc(C)cc(C)c5)c5cc(C)cc(C)c5)cc(C(C)C)c5ccc2c3c54)c1.c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)cc2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cncc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)n2)cc1
InChIInChI=1S/C54H56N2.C54H35NO2.C52H34N4/c1-31(2)49-29-51(55(41-21-33(5)17-34(6)22-41)42-23-35(7)18-36(8)24-42)47-16-14-46-50(32(3)4)30-52(48-15-13-45(49)53(47)54(46)48)56(43-25-37(9)19-38(10)26-43)44-27-39(11)20-40(12)28-44;1-2-10-36(11-3-1)37-20-22-38(23-21-37)39-24-30-42(31-25-39)55(43-32-26-40(27-33-43)45-14-8-16-49-47-12-4-6-18-51(47)56-53(45)49)44-34-28-41(29-35-44)46-15-9-17-50-48-13-5-7-19-52(48)57-54(46)50;1-5-13-35(14-6-1)39-21-25-47-43(29-39)44-30-40(36-15-7-2-8-16-36)22-26-48(44)55(47)51-33-53-34-52(54-51)56-49-27-23-41(37-17-9-3-10-18-37)31-45(49)46-32-42(24-28-50(46)56)38-19-11-4-12-20-38/h13-32H,1-12H3;1-35H;1-34H
InChIKeyRSCLFVXJOMSWSU-UHFFFAOYSA-N
XLogP45.20
TPSA71.64 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds21
Heavy Atoms169
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002177.81
LogP ≤ 545.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

1-N,6-N-bis(3-dibenzofuran-4-ylphenyl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 58461954
N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-[2-(3-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)aniline;N-[4-[4-[2-(3-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 165090747
N-[4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90207163
1-N,6-N-bis(4-dibenzofuran-4-yl-3-methylphenyl)-1-N,6-N-bis(2,6-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,6-N-bis(2,6-dimethylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 158203849
1-N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-4-N,4-N-bis[4-(N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]anilino)phenyl]-1-N-phenylbenzene-1,4-diamine
CID 118402476
1-N,6-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,6-N-bis(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 122663770
N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 89491956
1-N,6-N-bis(3,5-dimethylphenyl)-1-N,6-N-bis(3-methyldibenzofuran-4-yl)-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 153259447
N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-yl-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-methylaniline;N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine;N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;4-dibenzofuran-2-yl-N,N-bis(4-dibenzofuran-2-ylphenyl)aniline;4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)aniline
CID 157318792
N-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-(N-(4-dibenzofuran-2-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline
CID 161468375
4-[9-(4-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-N,N-diphenylaniline
CID 164786369
1-N,6-N-bis(3,5-dimethylphenyl)-1-N,6-N-bis(2,7-diphenylnaphthalen-1-yl)-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 146180884

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;9-[6-(3,6-diphenylcarbazol-9-yl)pyrazin-2-yl]-3,6-diphenylcarbazole;1-N,1-N,6-N,6-N-tetrakis(3,5-dimethylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine?
The IUPAC name of N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;9-[6-(3,6-diphenylcarbazol-9-yl)pyrazin-2-yl]-3,6-diphenylcarbazole;1-N,1-N,6-N,6-N-tetrakis(3,5-dimethylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine (CID 160713013) is N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;9-[6-(3,6-diphenylcarbazol-9-yl)pyrazin-2-yl]-3,6-diphenylcarbazole;1-N,1-N,6-N,6-N-tetrakis(3,5-dimethylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine.
What is the SMILES notation for N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;9-[6-(3,6-diphenylcarbazol-9-yl)pyrazin-2-yl]-3,6-diphenylcarbazole;1-N,1-N,6-N,6-N-tetrakis(3,5-dimethylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine?
The canonical SMILES for N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;9-[6-(3,6-diphenylcarbazol-9-yl)pyrazin-2-yl]-3,6-diphenylcarbazole;1-N,1-N,6-N,6-N-tetrakis(3,5-dimethylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine is Cc1cc(C)cc(N(c2cc(C)cc(C)c2)c2cc(C(C)C)c3ccc4c(N(c5cc(C)cc(C)c5)c5cc(C)cc(C)c5)cc(C(C)C)c5ccc2c3c54)c1.c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)cc2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cncc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)n2)cc1.
What is the InChIKey of N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;9-[6-(3,6-diphenylcarbazol-9-yl)pyrazin-2-yl]-3,6-diphenylcarbazole;1-N,1-N,6-N,6-N-tetrakis(3,5-dimethylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine?
The InChIKey is RSCLFVXJOMSWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H56N2.C54H35NO2.C52H34N4/c1-31(2)49-29-51(55(41-21-33(5)17-34(6)22-41)42-23-35(7)18-36(8)24-42)47-16-14-46-50(32(3)4)30-52(48-15-13-45(49)53(47)54(46)48)56(43-25-37(9)19-38(10)26-43)44-27-39(11)20-40(12)28-44;1-2-10-36(11-3-1)37-20-22-38(23-21-37)39-24-30-42(31-25-39)55(43-32-26-40(27-33-43)45-14-8-16-49-47-12-4-6-18-51(47)56-53(45)49)44-34-28-41(29-35-44)46-15-9-17-50-48-13-5-7-19-52(48)57-54(46)50;1-5-13-35(14-6-1)39-21-25-47-43(29-39)44-30-40(36-15-7-2-8-16-36)22-26-48(44)55(47)51-33-53-34-52(54-51)56-49-27-23-41(37-17-9-3-10-18-37)31-45(49)46-32-42(24-28-50(46)56)38-19-11-4-12-20-38/h13-32H,1-12H3;1-35H;1-34H.
What are the key properties of N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;9-[6-(3,6-diphenylcarbazol-9-yl)pyrazin-2-yl]-3,6-diphenylcarbazole;1-N,1-N,6-N,6-N-tetrakis(3,5-dimethylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine?
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;9-[6-(3,6-diphenylcarbazol-9-yl)pyrazin-2-yl]-3,6-diphenylcarbazole;1-N,1-N,6-N,6-N-tetrakis(3,5-dimethylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine has a molecular weight of 2177.81 g/mol, XLogP of 45.20, 21 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;9-[6-(3,6-diphenylcarbazol-9-yl)pyrazin-2-yl]-3,6-diphenylcarbazole;1-N,1-N,6-N,6-N-tetrakis(3,5-dimethylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine is sourced from PubChem (CID 160713013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).