2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-9-[4-[3-(4-methylphenyl)-5-[4-(2-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]carbazole;2-methyl-1-(2-methylphenyl)-4-phenylbenzene

C82H64N2 — CID 143723538

IUPAC2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-9-[4-[3-(4-methylphenyl)-5-[4-(2-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]carbazole;2-methyl-1-(2-methylphenyl)-4-phenylbenzene
SMILESC=C/C(=C\C=C/C)c1ccc2c3ccccc3n(-c3ccc(-c4cc(-c5ccc(C)cc5)cc(-c5ccc(-n6c7ccccc7c7ccc(-c8ccccc8)cc76)cc5)c4)cc3)c2c1.Cc1ccccc1-c1ccc(-c2ccccc2)cc1C
InChIInChI=1S/C62H46N2.C20H18/c1-4-6-14-43(5-2)48-29-35-57-55-17-10-12-19-59(55)63(61(57)40-48)53-31-25-46(26-32-53)51-37-50(45-23-21-42(3)22-24-45)38-52(39-51)47-27-33-54(34-28-47)64-60-20-13-11-18-56(60)58-36-30-49(41-62(58)64)44-15-8-7-9-16-44;1-15-8-6-7-11-19(15)20-13-12-18(14-16(20)2)17-9-4-3-5-10-17/h4-41H,2H2,1,3H3;3-14H,1-2H3/b6-4-,43-14+;
InChIKeyCQDICRKDLMQHJN-RFJWFTCXSA-N
MW1077.43 g/mol
LogP22.64
Rot. Bonds11

About 2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-9-[4-[3-(4-methylphenyl)-5-[4-(2-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]carbazole;2-methyl-1-(2-methylphenyl)-4-phenylbenzene

2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-9-[4-[3-(4-methylphenyl)-5-[4-(2-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]carbazole;2-methyl-1-(2-methylphenyl)-4-phenylbenzene (PubChem CID 143723538) has the molecular formula C82H64N2 and a molecular weight of 1077.43 g/mol. Its IUPAC name is 2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-9-[4-[3-(4-methylphenyl)-5-[4-(2-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]carbazole;2-methyl-1-(2-methylphenyl)-4-phenylbenzene.

Molecular Properties

Compound Name2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-9-[4-[3-(4-methylphenyl)-5-[4-(2-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]carbazole;2-methyl-1-(2-methylphenyl)-4-phenylbenzene
PubChem CID143723538
Molecular FormulaC82H64N2
Molecular Weight1077.43 g/mol
Exact Mass1076.51
IUPAC Name2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-9-[4-[3-(4-methylphenyl)-5-[4-(2-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]carbazole;2-methyl-1-(2-methylphenyl)-4-phenylbenzene
SMILESC=C/C(=C\C=C/C)c1ccc2c3ccccc3n(-c3ccc(-c4cc(-c5ccc(C)cc5)cc(-c5ccc(-n6c7ccccc7c7ccc(-c8ccccc8)cc76)cc5)c4)cc3)c2c1.Cc1ccccc1-c1ccc(-c2ccccc2)cc1C
InChIInChI=1S/C62H46N2.C20H18/c1-4-6-14-43(5-2)48-29-35-57-55-17-10-12-19-59(55)63(61(57)40-48)53-31-25-46(26-32-53)51-37-50(45-23-21-42(3)22-24-45)38-52(39-51)47-27-33-54(34-28-47)64-60-20-13-11-18-56(60)58-36-30-49(41-62(58)64)44-15-8-7-9-16-44;1-15-8-6-7-11-19(15)20-13-12-18(14-16(20)2)17-9-4-3-5-10-17/h4-41H,2H2,1,3H3;3-14H,1-2H3/b6-4-,43-14+;
InChIKeyCQDICRKDLMQHJN-RFJWFTCXSA-N
XLogP22.64
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001077.43
LogP ≤ 522.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-9-[4-[3-(4-methylphenyl)-5-[4-(2-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]carbazole;2-methyl-1-(2-methylphenyl)-4-phenylbenzene with MolForge

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Related Compounds

2-[2-(4-methylphenyl)phenyl]-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 118337077
9-[4-(3,5-diphenylphenyl)phenyl]-2-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-2-yl]carbazole
CID 135166087
3-[(3E)-hexa-1,3,5-trien-3-yl]-9-phenyl-6-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 142521124
3-[9-[(2E,4E)-5-phenylhepta-2,4,6-trien-2-yl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 155119518
9-[4-(3,5-diphenylphenyl)phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-2-yl]carbazole
CID 118231168
3-[9-[4-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]phenyl]carbazol-3-yl]-9-(2-phenylphenyl)carbazole
CID 171812828
2-(2-methylphenyl)-9-phenylcarbazole;2-(3-methylphenyl)-9-phenylcarbazole;3-(2-methylphenyl)-9-phenylcarbazole;3-(3-methylphenyl)-9-phenylcarbazole;3-(4-methylphenyl)-9-phenylcarbazole
CID 160608277
9-[4-methyl-3-[2-methyl-5-(2-phenylcarbazol-9-yl)phenyl]phenyl]-2-phenylcarbazole
CID 70879569
2-[9-(4-phenylphenyl)carbazol-2-yl]-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 138747135
2-[9-(4-methylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 135248578
9-phenyl-2-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 129225606
2-phenyl-9-(4-phenylphenyl)-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole
CID 170072561

Frequently Asked Questions

What is the IUPAC name of 2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-9-[4-[3-(4-methylphenyl)-5-[4-(2-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]carbazole;2-methyl-1-(2-methylphenyl)-4-phenylbenzene?
The IUPAC name of 2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-9-[4-[3-(4-methylphenyl)-5-[4-(2-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]carbazole;2-methyl-1-(2-methylphenyl)-4-phenylbenzene (CID 143723538) is 2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-9-[4-[3-(4-methylphenyl)-5-[4-(2-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]carbazole;2-methyl-1-(2-methylphenyl)-4-phenylbenzene.
What is the SMILES notation for 2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-9-[4-[3-(4-methylphenyl)-5-[4-(2-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]carbazole;2-methyl-1-(2-methylphenyl)-4-phenylbenzene?
The canonical SMILES for 2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-9-[4-[3-(4-methylphenyl)-5-[4-(2-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]carbazole;2-methyl-1-(2-methylphenyl)-4-phenylbenzene is C=C/C(=C\C=C/C)c1ccc2c3ccccc3n(-c3ccc(-c4cc(-c5ccc(C)cc5)cc(-c5ccc(-n6c7ccccc7c7ccc(-c8ccccc8)cc76)cc5)c4)cc3)c2c1.Cc1ccccc1-c1ccc(-c2ccccc2)cc1C.
What is the InChIKey of 2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-9-[4-[3-(4-methylphenyl)-5-[4-(2-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]carbazole;2-methyl-1-(2-methylphenyl)-4-phenylbenzene?
The InChIKey is CQDICRKDLMQHJN-RFJWFTCXSA-N. The full InChI is InChI=1S/C62H46N2.C20H18/c1-4-6-14-43(5-2)48-29-35-57-55-17-10-12-19-59(55)63(61(57)40-48)53-31-25-46(26-32-53)51-37-50(45-23-21-42(3)22-24-45)38-52(39-51)47-27-33-54(34-28-47)64-60-20-13-11-18-56(60)58-36-30-49(41-62(58)64)44-15-8-7-9-16-44;1-15-8-6-7-11-19(15)20-13-12-18(14-16(20)2)17-9-4-3-5-10-17/h4-41H,2H2,1,3H3;3-14H,1-2H3/b6-4-,43-14+;.
What are the key properties of 2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-9-[4-[3-(4-methylphenyl)-5-[4-(2-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]carbazole;2-methyl-1-(2-methylphenyl)-4-phenylbenzene?
2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-9-[4-[3-(4-methylphenyl)-5-[4-(2-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]carbazole;2-methyl-1-(2-methylphenyl)-4-phenylbenzene has a molecular weight of 1077.43 g/mol, XLogP of 22.64, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-9-[4-[3-(4-methylphenyl)-5-[4-(2-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]carbazole;2-methyl-1-(2-methylphenyl)-4-phenylbenzene is sourced from PubChem (CID 143723538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).