1-[bis(4-methylphenyl)methyl]-4-[1-[4-[bis(4-methylphenyl)methyl]phenyl]cyclohexyl]benzene;4-(3,5-diphenylphenyl)-2-methyl-6-(3-phenyl-5-pyridin-3-ylphenyl)pyrimidine;17-ethynyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16-pentacarbonitrile;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine

C151H110N16 — CID 161123125

IUPAC1-[bis(4-methylphenyl)methyl]-4-[1-[4-[bis(4-methylphenyl)methyl]phenyl]cyclohexyl]benzene;4-(3,5-diphenylphenyl)-2-methyl-6-(3-phenyl-5-pyridin-3-ylphenyl)pyrimidine;17-ethynyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16-pentacarbonitrile;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
SMILESC#Cc1nc2c(nc1C#N)c1nc(C#N)c(C#N)nc1c1nc(C#N)c(C#N)nc21.Cc1ccc(C(c2ccc(C)cc2)c2ccc(C3(c4ccc(C(c5ccc(C)cc5)c5ccc(C)cc5)cc4)CCCCC3)cc2)cc1.Cc1nc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc(-c2cc(-c3ccccc3)cc(-c3cccnc3)c2)n1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C48H48.C44H32N2.C40H29N3.C19HN11/c1-34-8-16-38(17-9-34)46(39-18-10-35(2)11-19-39)42-24-28-44(29-25-42)48(32-6-5-7-33-48)45-30-26-43(27-31-45)47(40-20-12-36(3)13-21-40)41-22-14-37(4)15-23-41;1-3-17-37(18-4-1)45(43-23-11-15-35-13-7-9-21-41(35)43)39-29-25-33(26-30-39)34-27-31-40(32-28-34)46(38-19-5-2-6-20-38)44-24-12-16-36-14-8-10-22-42(36)44;1-28-42-39(37-22-33(29-12-5-2-6-13-29)20-34(23-37)30-14-7-3-8-15-30)26-40(43-28)38-24-35(31-16-9-4-10-17-31)21-36(25-38)32-18-11-19-41-27-32;1-2-8-9(3-20)26-15-14(25-8)16-18(29-11(5-22)10(4-21)27-16)19-17(15)28-12(6-23)13(7-24)30-19/h8-31,46-47H,5-7,32-33H2,1-4H3;1-32H;2-27H,1H3;1H
InChIKeyULFBYIQTYYFMCR-UHFFFAOYSA-N
MW2148.65 g/mol
LogP36.17
Rot. Bonds21

About 1-[bis(4-methylphenyl)methyl]-4-[1-[4-[bis(4-methylphenyl)methyl]phenyl]cyclohexyl]benzene;4-(3,5-diphenylphenyl)-2-methyl-6-(3-phenyl-5-pyridin-3-ylphenyl)pyrimidine;17-ethynyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16-pentacarbonitrile;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine

1-[bis(4-methylphenyl)methyl]-4-[1-[4-[bis(4-methylphenyl)methyl]phenyl]cyclohexyl]benzene;4-(3,5-diphenylphenyl)-2-methyl-6-(3-phenyl-5-pyridin-3-ylphenyl)pyrimidine;17-ethynyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16-pentacarbonitrile;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine (PubChem CID 161123125) has the molecular formula C151H110N16 and a molecular weight of 2148.65 g/mol. Its IUPAC name is 1-[bis(4-methylphenyl)methyl]-4-[1-[4-[bis(4-methylphenyl)methyl]phenyl]cyclohexyl]benzene;4-(3,5-diphenylphenyl)-2-methyl-6-(3-phenyl-5-pyridin-3-ylphenyl)pyrimidine;17-ethynyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16-pentacarbonitrile;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine.

Molecular Properties

Compound Name1-[bis(4-methylphenyl)methyl]-4-[1-[4-[bis(4-methylphenyl)methyl]phenyl]cyclohexyl]benzene;4-(3,5-diphenylphenyl)-2-methyl-6-(3-phenyl-5-pyridin-3-ylphenyl)pyrimidine;17-ethynyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16-pentacarbonitrile;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
PubChem CID161123125
Molecular FormulaC151H110N16
Molecular Weight2148.65 g/mol
Exact Mass2146.91
IUPAC Name1-[bis(4-methylphenyl)methyl]-4-[1-[4-[bis(4-methylphenyl)methyl]phenyl]cyclohexyl]benzene;4-(3,5-diphenylphenyl)-2-methyl-6-(3-phenyl-5-pyridin-3-ylphenyl)pyrimidine;17-ethynyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16-pentacarbonitrile;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
SMILESC#Cc1nc2c(nc1C#N)c1nc(C#N)c(C#N)nc1c1nc(C#N)c(C#N)nc21.Cc1ccc(C(c2ccc(C)cc2)c2ccc(C3(c4ccc(C(c5ccc(C)cc5)c5ccc(C)cc5)cc4)CCCCC3)cc2)cc1.Cc1nc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc(-c2cc(-c3ccccc3)cc(-c3cccnc3)c2)n1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C48H48.C44H32N2.C40H29N3.C19HN11/c1-34-8-16-38(17-9-34)46(39-18-10-35(2)11-19-39)42-24-28-44(29-25-42)48(32-6-5-7-33-48)45-30-26-43(27-31-45)47(40-20-12-36(3)13-21-40)41-22-14-37(4)15-23-41;1-3-17-37(18-4-1)45(43-23-11-15-35-13-7-9-21-41(35)43)39-29-25-33(26-30-39)34-27-31-40(32-28-34)46(38-19-5-2-6-20-38)44-24-12-16-36-14-8-10-22-42(36)44;1-28-42-39(37-22-33(29-12-5-2-6-13-29)20-34(23-37)30-14-7-3-8-15-30)26-40(43-28)38-24-35(31-16-9-4-10-17-31)21-36(25-38)32-18-11-19-41-27-32;1-2-8-9(3-20)26-15-14(25-8)16-18(29-11(5-22)10(4-21)27-16)19-17(15)28-12(6-23)13(7-24)30-19/h8-31,46-47H,5-7,32-33H2,1-4H3;1-32H;2-27H,1H3;1H
InChIKeyULFBYIQTYYFMCR-UHFFFAOYSA-N
XLogP36.17
TPSA241.44 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds21
Heavy Atoms167
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002148.65
LogP ≤ 536.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-[bis(4-methylphenyl)methyl]-4-[1-[4-[bis(4-methylphenyl)methyl]phenyl]cyclohexyl]benzene;4-(3,5-diphenylphenyl)-2-methyl-6-(3-phenyl-5-pyridin-3-ylphenyl)pyrimidine;17-ethynyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16-pentacarbonitrile;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine with MolForge

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Related Compounds

CID 158638983
CID 158638983
3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline
CID 160910551
4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine;1-N,1-N,3-N,3-N-tetrakis(3-methylphenyl)benzene-1,3-diamine;2-N,2-N',7-N,7-N'-tetranaphthalen-1-yl-2-N,2-N',7-N,7-N'-tetraphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 158613408
N-(3,5-dipyridin-3-ylphenyl)-N-[4-[4-(N-pyren-2-yl-3,5-dipyridin-3-ylanilino)phenyl]phenyl]pyren-2-amine;4-[4-[4-(4-isocyano-N-pyren-2-ylanilino)phenyl]-N-pyren-2-ylanilino]benzonitrile;N-naphthalen-1-yl-N-[4-[4-[naphthalen-1-yl(pyren-2-yl)amino]phenyl]phenyl]pyren-2-amine;N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-pyren-2-ylanilino)phenyl]phenyl]pyren-2-amine
CID 158547799
lithium;9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;3-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine;4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline;quinolin-1-ium-8-olate
CID 158662258
1-N-[4-[4-[N-naphthalen-1-yl-4-(N-phenylanilino)anilino]phenyl]phenyl]-1-N,4-N-diphenyl-4-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine
CID 59025076
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 154945555
N-naphthalen-1-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 58672348
N-[4-methyl-3-(1-phenylcyclopentyl)phenyl]-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 71079801
4-(3,5-diphenylphenyl)-2-methyl-6-(4-pyridin-3-ylphenyl)pyrimidine;2-methyl-4,6-dipyridin-4-ylpyrimidine;2-methyl-4-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;2-methyl-4-phenyl-6-pyridin-4-ylpyrimidine;2-methyl-4-pyridin-4-yl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 159471175
7'-[4-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]naphthalen-1-yl]spiro[cyclohexane-1,9'-fluorene]-2'-carbonitrile
CID 171440509
4-[4-[1-[4-(3-naphthalen-1-ylphenyl)phenyl]cyclohexyl]phenyl]-2,6-diphenylpyrimidine
CID 121315578

Frequently Asked Questions

What is the IUPAC name of 1-[bis(4-methylphenyl)methyl]-4-[1-[4-[bis(4-methylphenyl)methyl]phenyl]cyclohexyl]benzene;4-(3,5-diphenylphenyl)-2-methyl-6-(3-phenyl-5-pyridin-3-ylphenyl)pyrimidine;17-ethynyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16-pentacarbonitrile;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine?
The IUPAC name of 1-[bis(4-methylphenyl)methyl]-4-[1-[4-[bis(4-methylphenyl)methyl]phenyl]cyclohexyl]benzene;4-(3,5-diphenylphenyl)-2-methyl-6-(3-phenyl-5-pyridin-3-ylphenyl)pyrimidine;17-ethynyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16-pentacarbonitrile;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine (CID 161123125) is 1-[bis(4-methylphenyl)methyl]-4-[1-[4-[bis(4-methylphenyl)methyl]phenyl]cyclohexyl]benzene;4-(3,5-diphenylphenyl)-2-methyl-6-(3-phenyl-5-pyridin-3-ylphenyl)pyrimidine;17-ethynyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16-pentacarbonitrile;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine.
What is the SMILES notation for 1-[bis(4-methylphenyl)methyl]-4-[1-[4-[bis(4-methylphenyl)methyl]phenyl]cyclohexyl]benzene;4-(3,5-diphenylphenyl)-2-methyl-6-(3-phenyl-5-pyridin-3-ylphenyl)pyrimidine;17-ethynyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16-pentacarbonitrile;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine?
The canonical SMILES for 1-[bis(4-methylphenyl)methyl]-4-[1-[4-[bis(4-methylphenyl)methyl]phenyl]cyclohexyl]benzene;4-(3,5-diphenylphenyl)-2-methyl-6-(3-phenyl-5-pyridin-3-ylphenyl)pyrimidine;17-ethynyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16-pentacarbonitrile;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine is C#Cc1nc2c(nc1C#N)c1nc(C#N)c(C#N)nc1c1nc(C#N)c(C#N)nc21.Cc1ccc(C(c2ccc(C)cc2)c2ccc(C3(c4ccc(C(c5ccc(C)cc5)c5ccc(C)cc5)cc4)CCCCC3)cc2)cc1.Cc1nc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc(-c2cc(-c3ccccc3)cc(-c3cccnc3)c2)n1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)cc1.
What is the InChIKey of 1-[bis(4-methylphenyl)methyl]-4-[1-[4-[bis(4-methylphenyl)methyl]phenyl]cyclohexyl]benzene;4-(3,5-diphenylphenyl)-2-methyl-6-(3-phenyl-5-pyridin-3-ylphenyl)pyrimidine;17-ethynyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16-pentacarbonitrile;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine?
The InChIKey is ULFBYIQTYYFMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H48.C44H32N2.C40H29N3.C19HN11/c1-34-8-16-38(17-9-34)46(39-18-10-35(2)11-19-39)42-24-28-44(29-25-42)48(32-6-5-7-33-48)45-30-26-43(27-31-45)47(40-20-12-36(3)13-21-40)41-22-14-37(4)15-23-41;1-3-17-37(18-4-1)45(43-23-11-15-35-13-7-9-21-41(35)43)39-29-25-33(26-30-39)34-27-31-40(32-28-34)46(38-19-5-2-6-20-38)44-24-12-16-36-14-8-10-22-42(36)44;1-28-42-39(37-22-33(29-12-5-2-6-13-29)20-34(23-37)30-14-7-3-8-15-30)26-40(43-28)38-24-35(31-16-9-4-10-17-31)21-36(25-38)32-18-11-19-41-27-32;1-2-8-9(3-20)26-15-14(25-8)16-18(29-11(5-22)10(4-21)27-16)19-17(15)28-12(6-23)13(7-24)30-19/h8-31,46-47H,5-7,32-33H2,1-4H3;1-32H;2-27H,1H3;1H.
What are the key properties of 1-[bis(4-methylphenyl)methyl]-4-[1-[4-[bis(4-methylphenyl)methyl]phenyl]cyclohexyl]benzene;4-(3,5-diphenylphenyl)-2-methyl-6-(3-phenyl-5-pyridin-3-ylphenyl)pyrimidine;17-ethynyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16-pentacarbonitrile;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine?
1-[bis(4-methylphenyl)methyl]-4-[1-[4-[bis(4-methylphenyl)methyl]phenyl]cyclohexyl]benzene;4-(3,5-diphenylphenyl)-2-methyl-6-(3-phenyl-5-pyridin-3-ylphenyl)pyrimidine;17-ethynyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16-pentacarbonitrile;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine has a molecular weight of 2148.65 g/mol, XLogP of 36.17, 21 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-methylphenyl)methyl]-4-[1-[4-[bis(4-methylphenyl)methyl]phenyl]cyclohexyl]benzene;4-(3,5-diphenylphenyl)-2-methyl-6-(3-phenyl-5-pyridin-3-ylphenyl)pyrimidine;17-ethynyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16-pentacarbonitrile;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 161123125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).