N-cyclohex-2-en-1-yl-N-[4-[4-[cyclohex-2-en-1-yl-(6-methyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)amino]phenyl]cyclohexa-1,5-dien-1-yl]-9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4a,9a-dihydrocarbazol-3-amine

C62H64N4 — CID 170003636

IUPACN-cyclohex-2-en-1-yl-N-[4-[4-[cyclohex-2-en-1-yl-(6-methyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)amino]phenyl]cyclohexa-1,5-dien-1-yl]-9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4a,9a-dihydrocarbazol-3-amine
SMILESC=C/C(=C\C=C/C)N1c2ccccc2C2C=C(N(C3=CCC(c4ccc(N(c5ccc6c(c5)c5c(n6-c6ccccc6)CCC(C)C5)C5C=CCCC5)cc4)C=C3)C3C=CCCC3)C=CC21
InChIInChI=1S/C62H64N4/c1-4-6-18-47(5-2)65-59-26-17-16-25-55(59)57-42-53(36-39-61(57)65)63(48-19-10-7-11-20-48)51-32-28-45(29-33-51)46-30-34-52(35-31-46)64(49-21-12-8-13-22-49)54-37-40-62-58(43-54)56-41-44(3)27-38-60(56)66(62)50-23-14-9-15-24-50/h4-6,9-10,12,14-19,21,23-26,28,30-37,39-40,42-45,48-49,57,61H,2,7-8,11,13,20,22,27,29,38,41H2,1,3H3/b6-4-,47-18+
InChIKeyCECGPEXDJUKPDL-NRDKWKROSA-N
MW865.22 g/mol
LogP15.41
Rot. Bonds11

About N-cyclohex-2-en-1-yl-N-[4-[4-[cyclohex-2-en-1-yl-(6-methyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)amino]phenyl]cyclohexa-1,5-dien-1-yl]-9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4a,9a-dihydrocarbazol-3-amine

N-cyclohex-2-en-1-yl-N-[4-[4-[cyclohex-2-en-1-yl-(6-methyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)amino]phenyl]cyclohexa-1,5-dien-1-yl]-9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4a,9a-dihydrocarbazol-3-amine (PubChem CID 170003636) has the molecular formula C62H64N4 and a molecular weight of 865.22 g/mol. Its IUPAC name is N-cyclohex-2-en-1-yl-N-[4-[4-[cyclohex-2-en-1-yl-(6-methyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)amino]phenyl]cyclohexa-1,5-dien-1-yl]-9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4a,9a-dihydrocarbazol-3-amine.

Molecular Properties

Compound NameN-cyclohex-2-en-1-yl-N-[4-[4-[cyclohex-2-en-1-yl-(6-methyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)amino]phenyl]cyclohexa-1,5-dien-1-yl]-9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4a,9a-dihydrocarbazol-3-amine
PubChem CID170003636
Molecular FormulaC62H64N4
Molecular Weight865.22 g/mol
Exact Mass864.51
IUPAC NameN-cyclohex-2-en-1-yl-N-[4-[4-[cyclohex-2-en-1-yl-(6-methyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)amino]phenyl]cyclohexa-1,5-dien-1-yl]-9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4a,9a-dihydrocarbazol-3-amine
SMILESC=C/C(=C\C=C/C)N1c2ccccc2C2C=C(N(C3=CCC(c4ccc(N(c5ccc6c(c5)c5c(n6-c6ccccc6)CCC(C)C5)C5C=CCCC5)cc4)C=C3)C3C=CCCC3)C=CC21
InChIInChI=1S/C62H64N4/c1-4-6-18-47(5-2)65-59-26-17-16-25-55(59)57-42-53(36-39-61(57)65)63(48-19-10-7-11-20-48)51-32-28-45(29-33-51)46-30-34-52(35-31-46)64(49-21-12-8-13-22-49)54-37-40-62-58(43-54)56-41-44(3)27-38-60(56)66(62)50-23-14-9-15-24-50/h4-6,9-10,12,14-19,21,23-26,28,30-37,39-40,42-45,48-49,57,61H,2,7-8,11,13,20,22,27,29,38,41H2,1,3H3/b6-4-,47-18+
InChIKeyCECGPEXDJUKPDL-NRDKWKROSA-N
XLogP15.41
TPSA14.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500865.22
LogP ≤ 515.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-cyclohex-2-en-1-yl-N-[4-[4-[cyclohex-2-en-1-yl-(6-methyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)amino]phenyl]cyclohexa-1,5-dien-1-yl]-9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4a,9a-dihydrocarbazol-3-amine with MolForge

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Related Compounds

9-(cyclohexen-1-yl)-N-phenyl-N-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazol-3-amine
CID 163888660
9-cyclohexa-2,4-dien-1-yl-3-N,6-N-diphenyl-3-N-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)-6-N-(9-phenylcarbazol-3-yl)carbazole-3,6-diamine
CID 163446293
9-cyclohexa-2,4-dien-1-yl-9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N-phenyl-N-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine
CID 146670239
6-(4-ethenyl-6-methylcyclohexa-2,4-dien-1-yl)-N-(6-methylcyclohexa-2,4-dien-1-yl)-N,9-diphenylcarbazol-3-amine
CID 166997919
9-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-[4-[4-[(5-methylcyclohexa-1,3-dien-1-yl)-[(2R)-9-phenyl-2,3,5,6-tetrahydrocarbazol-2-yl]amino]phenyl]phenyl]-N-phenylcarbazol-2-amine
CID 137468873
8-N-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)-5-N,5-N,8-N-tris(9-phenylcarbazol-3-yl)benzo[c]phenanthrene-5,8-diamine
CID 90892132
N-[4-[3-[9-[4-[N-(9,9-dimethylfluoren-2-yl)-4-(4-ethenylphenyl)anilino]phenyl]-6-phenylcarbazol-3-yl]-6-phenylcarbazol-9-yl]phenyl]-N-[4-(4-ethenylcyclohexa-2,4-dien-1-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 139472623
N-(4-cyclohexyl-6-methylcyclohexa-2,4-dien-1-yl)-N-(4-cyclohexylphenyl)-9-phenylcarbazol-3-amine
CID 166670884
N-[(2E,4Z)-hexa-2,4-dien-2-yl]-3,4-diphenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)aniline
CID 134194236
9-cyclohexa-1,3-dien-1-yl-3-[3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)cyclohexen-1-yl]carbazole
CID 138625874
3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)-9-[3-(4-phenylcyclohexa-2,4-dien-1-yl)phenyl]carbazole
CID 139438644
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]cyclohexa-2,4-dien-1-yl]phenyl]cyclohexa-1,5-dien-1-yl]fluoren-2-amine
CID 163616373

Frequently Asked Questions

What is the IUPAC name of N-cyclohex-2-en-1-yl-N-[4-[4-[cyclohex-2-en-1-yl-(6-methyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)amino]phenyl]cyclohexa-1,5-dien-1-yl]-9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4a,9a-dihydrocarbazol-3-amine?
The IUPAC name of N-cyclohex-2-en-1-yl-N-[4-[4-[cyclohex-2-en-1-yl-(6-methyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)amino]phenyl]cyclohexa-1,5-dien-1-yl]-9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4a,9a-dihydrocarbazol-3-amine (CID 170003636) is N-cyclohex-2-en-1-yl-N-[4-[4-[cyclohex-2-en-1-yl-(6-methyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)amino]phenyl]cyclohexa-1,5-dien-1-yl]-9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4a,9a-dihydrocarbazol-3-amine.
What is the SMILES notation for N-cyclohex-2-en-1-yl-N-[4-[4-[cyclohex-2-en-1-yl-(6-methyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)amino]phenyl]cyclohexa-1,5-dien-1-yl]-9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4a,9a-dihydrocarbazol-3-amine?
The canonical SMILES for N-cyclohex-2-en-1-yl-N-[4-[4-[cyclohex-2-en-1-yl-(6-methyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)amino]phenyl]cyclohexa-1,5-dien-1-yl]-9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4a,9a-dihydrocarbazol-3-amine is C=C/C(=C\C=C/C)N1c2ccccc2C2C=C(N(C3=CCC(c4ccc(N(c5ccc6c(c5)c5c(n6-c6ccccc6)CCC(C)C5)C5C=CCCC5)cc4)C=C3)C3C=CCCC3)C=CC21.
What is the InChIKey of N-cyclohex-2-en-1-yl-N-[4-[4-[cyclohex-2-en-1-yl-(6-methyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)amino]phenyl]cyclohexa-1,5-dien-1-yl]-9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4a,9a-dihydrocarbazol-3-amine?
The InChIKey is CECGPEXDJUKPDL-NRDKWKROSA-N. The full InChI is InChI=1S/C62H64N4/c1-4-6-18-47(5-2)65-59-26-17-16-25-55(59)57-42-53(36-39-61(57)65)63(48-19-10-7-11-20-48)51-32-28-45(29-33-51)46-30-34-52(35-31-46)64(49-21-12-8-13-22-49)54-37-40-62-58(43-54)56-41-44(3)27-38-60(56)66(62)50-23-14-9-15-24-50/h4-6,9-10,12,14-19,21,23-26,28,30-37,39-40,42-45,48-49,57,61H,2,7-8,11,13,20,22,27,29,38,41H2,1,3H3/b6-4-,47-18+.
What are the key properties of N-cyclohex-2-en-1-yl-N-[4-[4-[cyclohex-2-en-1-yl-(6-methyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)amino]phenyl]cyclohexa-1,5-dien-1-yl]-9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4a,9a-dihydrocarbazol-3-amine?
N-cyclohex-2-en-1-yl-N-[4-[4-[cyclohex-2-en-1-yl-(6-methyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)amino]phenyl]cyclohexa-1,5-dien-1-yl]-9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4a,9a-dihydrocarbazol-3-amine has a molecular weight of 865.22 g/mol, XLogP of 15.41, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-2-en-1-yl-N-[4-[4-[cyclohex-2-en-1-yl-(6-methyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)amino]phenyl]cyclohexa-1,5-dien-1-yl]-9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4a,9a-dihydrocarbazol-3-amine is sourced from PubChem (CID 170003636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).