N-[4-[(2E,4Z)-hepta-2,4-dien-6-yn-2-yl]cyclohexyl]-9-[4-[4-(5-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]phenyl]-N-phenylcarbazol-2-amine

C50H48N2 — CID 166715792

IUPACN-[4-[(2E,4Z)-hepta-2,4-dien-6-yn-2-yl]cyclohexyl]-9-[4-[4-(5-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]phenyl]-N-phenylcarbazol-2-amine
SMILESC#C/C=C\C=C(/C)C1CCC(N(c2ccccc2)c2ccc3c4ccccc4n(-c4ccc(C5=CC=C(C6=CC=CC(C)C6)CC5)cc4)c3c2)CC1
InChIInChI=1S/C50H48N2/c1-4-5-7-14-37(3)38-24-28-44(29-25-38)51(43-16-8-6-9-17-43)46-32-33-48-47-18-10-11-19-49(47)52(50(48)35-46)45-30-26-40(27-31-45)39-20-22-41(23-21-39)42-15-12-13-36(2)34-42/h1,5-20,22,26-27,30-33,35-36,38,44H,21,23-25,28-29,34H2,2-3H3/b7-5-,37-14+
InChIKeyMYDOYUVIQXCNDV-YHJBHHBKSA-N
MW676.95 g/mol
LogP13.24
Rot. Bonds8

About N-[4-[(2E,4Z)-hepta-2,4-dien-6-yn-2-yl]cyclohexyl]-9-[4-[4-(5-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]phenyl]-N-phenylcarbazol-2-amine

N-[4-[(2E,4Z)-hepta-2,4-dien-6-yn-2-yl]cyclohexyl]-9-[4-[4-(5-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]phenyl]-N-phenylcarbazol-2-amine (PubChem CID 166715792) has the molecular formula C50H48N2 and a molecular weight of 676.95 g/mol. Its IUPAC name is N-[4-[(2E,4Z)-hepta-2,4-dien-6-yn-2-yl]cyclohexyl]-9-[4-[4-(5-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]phenyl]-N-phenylcarbazol-2-amine.

Molecular Properties

Compound NameN-[4-[(2E,4Z)-hepta-2,4-dien-6-yn-2-yl]cyclohexyl]-9-[4-[4-(5-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]phenyl]-N-phenylcarbazol-2-amine
PubChem CID166715792
Molecular FormulaC50H48N2
Molecular Weight676.95 g/mol
Exact Mass676.38
IUPAC NameN-[4-[(2E,4Z)-hepta-2,4-dien-6-yn-2-yl]cyclohexyl]-9-[4-[4-(5-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]phenyl]-N-phenylcarbazol-2-amine
SMILESC#C/C=C\C=C(/C)C1CCC(N(c2ccccc2)c2ccc3c4ccccc4n(-c4ccc(C5=CC=C(C6=CC=CC(C)C6)CC5)cc4)c3c2)CC1
InChIInChI=1S/C50H48N2/c1-4-5-7-14-37(3)38-24-28-44(29-25-38)51(43-16-8-6-9-17-43)46-32-33-48-47-18-10-11-19-49(47)52(50(48)35-46)45-30-26-40(27-31-45)39-20-22-41(23-21-39)42-15-12-13-36(2)34-42/h1,5-20,22,26-27,30-33,35-36,38,44H,21,23-25,28-29,34H2,2-3H3/b7-5-,37-14+
InChIKeyMYDOYUVIQXCNDV-YHJBHHBKSA-N
XLogP13.24
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.95
LogP ≤ 513.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[4-[(2E,4Z)-hepta-2,4-dien-6-yn-2-yl]cyclohexyl]-9-[4-[4-(5-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]phenyl]-N-phenylcarbazol-2-amine with MolForge

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Related Compounds

9-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)-N-(4-phenylphenyl)carbazol-2-amine
CID 145377441
9-[4-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]carbazole
CID 118534055
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
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-(4-fluorocyclohexa-1,3-dien-1-yl)-N-phenylaniline;ethane
CID 145025100
3-phenyl-6-(9-phenylcarbazol-2-yl)-9-(5-phenylcyclohexa-2,4-dien-1-yl)carbazole
CID 145212544
9-(4-cyclohexa-1,3-dien-1-ylphenyl)-3-(4-cyclohexylcyclohexa-1,3-dien-1-yl)carbazole
CID 129022093
N-phenyl-9-(4-phenylcyclohexa-1,3-dien-1-yl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 130390595
N-[4-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-N-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 138737604
17-(5-methylcyclohexa-1,3-dien-1-yl)-N,N,3,10,24-pentakis-phenyloctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4(9),5,7,10,12,14,16,18,20,22,24,26(30),27-pentadecaen-6-amine
CID 71067161
2-carbazol-9-yl-9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;3-(2-carbazol-9-ylcarbazol-9-yl)-N-phenyl-N-(4-phenylphenyl)aniline;2-carbazol-9-yl-9-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenylcarbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]-N-phenyl-N-(4-phenylphenyl)carbazol-2-amine;N,N-diphenyl-9-[4-[4-(N-phenylanilino)phenyl]phenyl]carbazol-2-amine;N,N-diphenyl-9-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-2-amine;N-phenyl-9-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)carbazol-2-amine;N-phenyl-N-(4-phenylphenyl)-9-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-2-amine
CID 158775841
N-[4-(7-methyl-7,8-dihydronaphthalen-1-yl)phenyl]-4-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline
CID 143813883
4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline;N,N,9-tris(4-phenylphenyl)carbazol-2-amine
CID 159022204

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2E,4Z)-hepta-2,4-dien-6-yn-2-yl]cyclohexyl]-9-[4-[4-(5-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]phenyl]-N-phenylcarbazol-2-amine?
The IUPAC name of N-[4-[(2E,4Z)-hepta-2,4-dien-6-yn-2-yl]cyclohexyl]-9-[4-[4-(5-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]phenyl]-N-phenylcarbazol-2-amine (CID 166715792) is N-[4-[(2E,4Z)-hepta-2,4-dien-6-yn-2-yl]cyclohexyl]-9-[4-[4-(5-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]phenyl]-N-phenylcarbazol-2-amine.
What is the SMILES notation for N-[4-[(2E,4Z)-hepta-2,4-dien-6-yn-2-yl]cyclohexyl]-9-[4-[4-(5-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]phenyl]-N-phenylcarbazol-2-amine?
The canonical SMILES for N-[4-[(2E,4Z)-hepta-2,4-dien-6-yn-2-yl]cyclohexyl]-9-[4-[4-(5-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]phenyl]-N-phenylcarbazol-2-amine is C#C/C=C\C=C(/C)C1CCC(N(c2ccccc2)c2ccc3c4ccccc4n(-c4ccc(C5=CC=C(C6=CC=CC(C)C6)CC5)cc4)c3c2)CC1.
What is the InChIKey of N-[4-[(2E,4Z)-hepta-2,4-dien-6-yn-2-yl]cyclohexyl]-9-[4-[4-(5-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]phenyl]-N-phenylcarbazol-2-amine?
The InChIKey is MYDOYUVIQXCNDV-YHJBHHBKSA-N. The full InChI is InChI=1S/C50H48N2/c1-4-5-7-14-37(3)38-24-28-44(29-25-38)51(43-16-8-6-9-17-43)46-32-33-48-47-18-10-11-19-49(47)52(50(48)35-46)45-30-26-40(27-31-45)39-20-22-41(23-21-39)42-15-12-13-36(2)34-42/h1,5-20,22,26-27,30-33,35-36,38,44H,21,23-25,28-29,34H2,2-3H3/b7-5-,37-14+.
What are the key properties of N-[4-[(2E,4Z)-hepta-2,4-dien-6-yn-2-yl]cyclohexyl]-9-[4-[4-(5-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]phenyl]-N-phenylcarbazol-2-amine?
N-[4-[(2E,4Z)-hepta-2,4-dien-6-yn-2-yl]cyclohexyl]-9-[4-[4-(5-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]phenyl]-N-phenylcarbazol-2-amine has a molecular weight of 676.95 g/mol, XLogP of 13.24, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2E,4Z)-hepta-2,4-dien-6-yn-2-yl]cyclohexyl]-9-[4-[4-(5-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]phenyl]-N-phenylcarbazol-2-amine is sourced from PubChem (CID 166715792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).