3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]phenyl]-N-phenylaniline;9,9-dihexyl-N-methyl-N-[4-[3-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]phenyl]fluoren-2-amine;2-N-[(3Z)-hexa-1,3,5-trien-2-yl]-9,9-dihexyl-2-N,7-N-diphenyl-7-N-[4-[4-(N-phenylanilino)phenyl]phenyl]fluorene-2,7-diamine;N-methyl-4-[3-[3-(4-methylphenyl)phenyl]phenyl]-N-phenylaniline

C206H191N7 — CID 162196156

IUPAC3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]phenyl]-N-phenylaniline;9,9-dihexyl-N-methyl-N-[4-[3-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]phenyl]fluoren-2-amine;2-N-[(3Z)-hexa-1,3,5-trien-2-yl]-9,9-dihexyl-2-N,7-N-diphenyl-7-N-[4-[4-(N-phenylanilino)phenyl]phenyl]fluorene-2,7-diamine;N-methyl-4-[3-[3-(4-methylphenyl)phenyl]phenyl]-N-phenylaniline
SMILESC=C/C=C\C(=C)N(c1ccccc1)c1ccc2c(c1)C(CCCCCC)(CCCCCC)c1cc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)ccc1-2.CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(N(C)c3ccc(-c4cccc(-c5cccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)c5)c4)cc3)cc21.Cc1ccc(-c2cccc(-c3cccc(-c4ccc(N(C)c5ccccc5)cc4)c3)c2)cc1.Cc1ccc(-c2cccc(-c3cccc(-c4ccc(N(c5ccccc5)c5cccc(-c6ccc7c(c6)CC7)c5)cc4)c3)c2)cc1
InChIInChI=1S/C67H67N3.C62H62N2.C45H35N.C32H27N/c1-5-8-11-25-48-67(49-26-12-9-6-2)65-50-61(68(52(4)27-10-7-3)55-28-17-13-18-29-55)44-46-63(65)64-47-45-62(51-66(64)67)70(58-34-23-16-24-35-58)60-42-38-54(39-43-60)53-36-40-59(41-37-53)69(56-30-19-14-20-31-56)57-32-21-15-22-33-57;1-4-6-8-18-42-62(43-19-9-7-5-2)60-31-17-16-30-58(60)59-41-40-57(46-61(59)62)63(3)53-36-32-47(33-37-53)49-22-20-24-51(44-49)52-25-21-23-50(45-52)48-34-38-56(39-35-48)64(54-26-12-10-13-27-54)55-28-14-11-15-29-55;1-32-16-18-33(19-17-32)36-8-5-10-38(28-36)39-11-6-9-37(29-39)35-24-26-44(27-25-35)46(43-13-3-2-4-14-43)45-15-7-12-40(31-45)42-23-21-34-20-22-41(34)30-42;1-24-14-16-25(17-15-24)27-8-6-10-29(22-27)30-11-7-9-28(23-30)26-18-20-32(21-19-26)33(2)31-12-4-3-5-13-31/h7,10,13-24,27-47,50-51H,3-6,8-9,11-12,25-26,48-49H2,1-2H3;10-17,20-41,44-46H,4-9,18-19,42-43H2,1-3H3;2-19,21,23-31H,20,22H2,1H3;3-23H,1-2H3/b27-10-;;;
InChIKeyZQYQPYXFRTZCQN-XEIQQFCWSA-N
MW2764.84 g/mol
LogP59.02
Rot. Bonds52

About 3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]phenyl]-N-phenylaniline;9,9-dihexyl-N-methyl-N-[4-[3-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]phenyl]fluoren-2-amine;2-N-[(3Z)-hexa-1,3,5-trien-2-yl]-9,9-dihexyl-2-N,7-N-diphenyl-7-N-[4-[4-(N-phenylanilino)phenyl]phenyl]fluorene-2,7-diamine;N-methyl-4-[3-[3-(4-methylphenyl)phenyl]phenyl]-N-phenylaniline

3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]phenyl]-N-phenylaniline;9,9-dihexyl-N-methyl-N-[4-[3-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]phenyl]fluoren-2-amine;2-N-[(3Z)-hexa-1,3,5-trien-2-yl]-9,9-dihexyl-2-N,7-N-diphenyl-7-N-[4-[4-(N-phenylanilino)phenyl]phenyl]fluorene-2,7-diamine;N-methyl-4-[3-[3-(4-methylphenyl)phenyl]phenyl]-N-phenylaniline (PubChem CID 162196156) has the molecular formula C206H191N7 and a molecular weight of 2764.84 g/mol. Its IUPAC name is 3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]phenyl]-N-phenylaniline;9,9-dihexyl-N-methyl-N-[4-[3-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]phenyl]fluoren-2-amine;2-N-[(3Z)-hexa-1,3,5-trien-2-yl]-9,9-dihexyl-2-N,7-N-diphenyl-7-N-[4-[4-(N-phenylanilino)phenyl]phenyl]fluorene-2,7-diamine;N-methyl-4-[3-[3-(4-methylphenyl)phenyl]phenyl]-N-phenylaniline.

Molecular Properties

Compound Name3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]phenyl]-N-phenylaniline;9,9-dihexyl-N-methyl-N-[4-[3-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]phenyl]fluoren-2-amine;2-N-[(3Z)-hexa-1,3,5-trien-2-yl]-9,9-dihexyl-2-N,7-N-diphenyl-7-N-[4-[4-(N-phenylanilino)phenyl]phenyl]fluorene-2,7-diamine;N-methyl-4-[3-[3-(4-methylphenyl)phenyl]phenyl]-N-phenylaniline
PubChem CID162196156
Molecular FormulaC206H191N7
Molecular Weight2764.84 g/mol
Exact Mass2762.52
IUPAC Name3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]phenyl]-N-phenylaniline;9,9-dihexyl-N-methyl-N-[4-[3-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]phenyl]fluoren-2-amine;2-N-[(3Z)-hexa-1,3,5-trien-2-yl]-9,9-dihexyl-2-N,7-N-diphenyl-7-N-[4-[4-(N-phenylanilino)phenyl]phenyl]fluorene-2,7-diamine;N-methyl-4-[3-[3-(4-methylphenyl)phenyl]phenyl]-N-phenylaniline
SMILESC=C/C=C\C(=C)N(c1ccccc1)c1ccc2c(c1)C(CCCCCC)(CCCCCC)c1cc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)ccc1-2.CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(N(C)c3ccc(-c4cccc(-c5cccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)c5)c4)cc3)cc21.Cc1ccc(-c2cccc(-c3cccc(-c4ccc(N(C)c5ccccc5)cc4)c3)c2)cc1.Cc1ccc(-c2cccc(-c3cccc(-c4ccc(N(c5ccccc5)c5cccc(-c6ccc7c(c6)CC7)c5)cc4)c3)c2)cc1
InChIInChI=1S/C67H67N3.C62H62N2.C45H35N.C32H27N/c1-5-8-11-25-48-67(49-26-12-9-6-2)65-50-61(68(52(4)27-10-7-3)55-28-17-13-18-29-55)44-46-63(65)64-47-45-62(51-66(64)67)70(58-34-23-16-24-35-58)60-42-38-54(39-43-60)53-36-40-59(41-37-53)69(56-30-19-14-20-31-56)57-32-21-15-22-33-57;1-4-6-8-18-42-62(43-19-9-7-5-2)60-31-17-16-30-58(60)59-41-40-57(46-61(59)62)63(3)53-36-32-47(33-37-53)49-22-20-24-51(44-49)52-25-21-23-50(45-52)48-34-38-56(39-35-48)64(54-26-12-10-13-27-54)55-28-14-11-15-29-55;1-32-16-18-33(19-17-32)36-8-5-10-38(28-36)39-11-6-9-37(29-39)35-24-26-44(27-25-35)46(43-13-3-2-4-14-43)45-15-7-12-40(31-45)42-23-21-34-20-22-41(34)30-42;1-24-14-16-25(17-15-24)27-8-6-10-29(22-27)30-11-7-9-28(23-30)26-18-20-32(21-19-26)33(2)31-12-4-3-5-13-31/h7,10,13-24,27-47,50-51H,3-6,8-9,11-12,25-26,48-49H2,1-2H3;10-17,20-41,44-46H,4-9,18-19,42-43H2,1-3H3;2-19,21,23-31H,20,22H2,1H3;3-23H,1-2H3/b27-10-;;;
InChIKeyZQYQPYXFRTZCQN-XEIQQFCWSA-N
XLogP59.02
TPSA22.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds52
Heavy Atoms213
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002764.84
LogP ≤ 559.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]phenyl]-N-phenylaniline;9,9-dihexyl-N-methyl-N-[4-[3-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]phenyl]fluoren-2-amine;2-N-[(3Z)-hexa-1,3,5-trien-2-yl]-9,9-dihexyl-2-N,7-N-diphenyl-7-N-[4-[4-(N-phenylanilino)phenyl]phenyl]fluorene-2,7-diamine;N-methyl-4-[3-[3-(4-methylphenyl)phenyl]phenyl]-N-phenylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[4-[N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]anilino]phenyl]phenyl]-9,9-dihexyl-N-phenylfluoren-2-amine
CID 58389511
N-[4-[10-[4-(N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]anilino)phenyl]anthracen-9-yl]phenyl]-9,9-dihexyl-N-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]fluoren-2-amine
CID 89393937
3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-[4-(9,9-dihexyl-7-methylfluoren-2-yl)phenyl]-N-methylaniline
CID 58250969
N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-6,6,12,12-tetrahexyl-8-methyl-N-phenylindeno[1,2-b]fluoren-2-amine
CID 71009487
9,9-dioctyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-[4-[4-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]anilino]phenyl]phenyl]fluorene-2,7-diamine
CID 59566452
N-[4-[4-[4-(9,9-dioctyl-7-phenylfluoren-2-yl)-N-[3-phenyl-4-(3-phenylphenyl)phenyl]anilino]phenyl]phenyl]-N-(4-phenylphenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine
CID 153294016
3-methyl-N-[4-[4-(4-methyl-N-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 23530066
N-[4-[9,9-dihexyl-7-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline
CID 58251082
4-N-[4-[4-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-methylanilino]phenyl]phenyl]-1-N-[4-(4-methylphenyl)phenyl]-1-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 58250924
[4-[4-(N-(9,9-dioctylfluoren-2-yl)-3-methylanilino)phenyl]phenyl]methanol
CID 139983913
N-(9,9-dihexylfluoren-2-yl)-9,9-dihexyl-N,7-dimethylfluoren-2-amine
CID 58151400
9,9-dihexyl-N,7-dimethyl-N-phenylfluoren-2-amine
CID 58151350

Frequently Asked Questions

What is the IUPAC name of 3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]phenyl]-N-phenylaniline;9,9-dihexyl-N-methyl-N-[4-[3-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]phenyl]fluoren-2-amine;2-N-[(3Z)-hexa-1,3,5-trien-2-yl]-9,9-dihexyl-2-N,7-N-diphenyl-7-N-[4-[4-(N-phenylanilino)phenyl]phenyl]fluorene-2,7-diamine;N-methyl-4-[3-[3-(4-methylphenyl)phenyl]phenyl]-N-phenylaniline?
The IUPAC name of 3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]phenyl]-N-phenylaniline;9,9-dihexyl-N-methyl-N-[4-[3-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]phenyl]fluoren-2-amine;2-N-[(3Z)-hexa-1,3,5-trien-2-yl]-9,9-dihexyl-2-N,7-N-diphenyl-7-N-[4-[4-(N-phenylanilino)phenyl]phenyl]fluorene-2,7-diamine;N-methyl-4-[3-[3-(4-methylphenyl)phenyl]phenyl]-N-phenylaniline (CID 162196156) is 3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]phenyl]-N-phenylaniline;9,9-dihexyl-N-methyl-N-[4-[3-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]phenyl]fluoren-2-amine;2-N-[(3Z)-hexa-1,3,5-trien-2-yl]-9,9-dihexyl-2-N,7-N-diphenyl-7-N-[4-[4-(N-phenylanilino)phenyl]phenyl]fluorene-2,7-diamine;N-methyl-4-[3-[3-(4-methylphenyl)phenyl]phenyl]-N-phenylaniline.
What is the SMILES notation for 3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]phenyl]-N-phenylaniline;9,9-dihexyl-N-methyl-N-[4-[3-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]phenyl]fluoren-2-amine;2-N-[(3Z)-hexa-1,3,5-trien-2-yl]-9,9-dihexyl-2-N,7-N-diphenyl-7-N-[4-[4-(N-phenylanilino)phenyl]phenyl]fluorene-2,7-diamine;N-methyl-4-[3-[3-(4-methylphenyl)phenyl]phenyl]-N-phenylaniline?
The canonical SMILES for 3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]phenyl]-N-phenylaniline;9,9-dihexyl-N-methyl-N-[4-[3-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]phenyl]fluoren-2-amine;2-N-[(3Z)-hexa-1,3,5-trien-2-yl]-9,9-dihexyl-2-N,7-N-diphenyl-7-N-[4-[4-(N-phenylanilino)phenyl]phenyl]fluorene-2,7-diamine;N-methyl-4-[3-[3-(4-methylphenyl)phenyl]phenyl]-N-phenylaniline is C=C/C=C\C(=C)N(c1ccccc1)c1ccc2c(c1)C(CCCCCC)(CCCCCC)c1cc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)ccc1-2.CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(N(C)c3ccc(-c4cccc(-c5cccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)c5)c4)cc3)cc21.Cc1ccc(-c2cccc(-c3cccc(-c4ccc(N(C)c5ccccc5)cc4)c3)c2)cc1.Cc1ccc(-c2cccc(-c3cccc(-c4ccc(N(c5ccccc5)c5cccc(-c6ccc7c(c6)CC7)c5)cc4)c3)c2)cc1.
What is the InChIKey of 3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]phenyl]-N-phenylaniline;9,9-dihexyl-N-methyl-N-[4-[3-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]phenyl]fluoren-2-amine;2-N-[(3Z)-hexa-1,3,5-trien-2-yl]-9,9-dihexyl-2-N,7-N-diphenyl-7-N-[4-[4-(N-phenylanilino)phenyl]phenyl]fluorene-2,7-diamine;N-methyl-4-[3-[3-(4-methylphenyl)phenyl]phenyl]-N-phenylaniline?
The InChIKey is ZQYQPYXFRTZCQN-XEIQQFCWSA-N. The full InChI is InChI=1S/C67H67N3.C62H62N2.C45H35N.C32H27N/c1-5-8-11-25-48-67(49-26-12-9-6-2)65-50-61(68(52(4)27-10-7-3)55-28-17-13-18-29-55)44-46-63(65)64-47-45-62(51-66(64)67)70(58-34-23-16-24-35-58)60-42-38-54(39-43-60)53-36-40-59(41-37-53)69(56-30-19-14-20-31-56)57-32-21-15-22-33-57;1-4-6-8-18-42-62(43-19-9-7-5-2)60-31-17-16-30-58(60)59-41-40-57(46-61(59)62)63(3)53-36-32-47(33-37-53)49-22-20-24-51(44-49)52-25-21-23-50(45-52)48-34-38-56(39-35-48)64(54-26-12-10-13-27-54)55-28-14-11-15-29-55;1-32-16-18-33(19-17-32)36-8-5-10-38(28-36)39-11-6-9-37(29-39)35-24-26-44(27-25-35)46(43-13-3-2-4-14-43)45-15-7-12-40(31-45)42-23-21-34-20-22-41(34)30-42;1-24-14-16-25(17-15-24)27-8-6-10-29(22-27)30-11-7-9-28(23-30)26-18-20-32(21-19-26)33(2)31-12-4-3-5-13-31/h7,10,13-24,27-47,50-51H,3-6,8-9,11-12,25-26,48-49H2,1-2H3;10-17,20-41,44-46H,4-9,18-19,42-43H2,1-3H3;2-19,21,23-31H,20,22H2,1H3;3-23H,1-2H3/b27-10-;;;.
What are the key properties of 3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]phenyl]-N-phenylaniline;9,9-dihexyl-N-methyl-N-[4-[3-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]phenyl]fluoren-2-amine;2-N-[(3Z)-hexa-1,3,5-trien-2-yl]-9,9-dihexyl-2-N,7-N-diphenyl-7-N-[4-[4-(N-phenylanilino)phenyl]phenyl]fluorene-2,7-diamine;N-methyl-4-[3-[3-(4-methylphenyl)phenyl]phenyl]-N-phenylaniline?
3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]phenyl]-N-phenylaniline;9,9-dihexyl-N-methyl-N-[4-[3-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]phenyl]fluoren-2-amine;2-N-[(3Z)-hexa-1,3,5-trien-2-yl]-9,9-dihexyl-2-N,7-N-diphenyl-7-N-[4-[4-(N-phenylanilino)phenyl]phenyl]fluorene-2,7-diamine;N-methyl-4-[3-[3-(4-methylphenyl)phenyl]phenyl]-N-phenylaniline has a molecular weight of 2764.84 g/mol, XLogP of 59.02, 52 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]phenyl]-N-phenylaniline;9,9-dihexyl-N-methyl-N-[4-[3-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]phenyl]fluoren-2-amine;2-N-[(3Z)-hexa-1,3,5-trien-2-yl]-9,9-dihexyl-2-N,7-N-diphenyl-7-N-[4-[4-(N-phenylanilino)phenyl]phenyl]fluorene-2,7-diamine;N-methyl-4-[3-[3-(4-methylphenyl)phenyl]phenyl]-N-phenylaniline is sourced from PubChem (CID 162196156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).