4-cyclohexa-1,5-dien-1-yl-N-(4-cyclohexa-2,4-dien-1-ylphenyl)-10,10-dimethyl-N-[4-(9-phenylcarbazol-3-yl)cyclohexa-1,3-dien-1-yl]-5,9a-dihydro-4bH-benzo[a]azulen-7-amine

C58H52N2 — CID 138723851

IUPAC4-cyclohexa-1,5-dien-1-yl-N-(4-cyclohexa-2,4-dien-1-ylphenyl)-10,10-dimethyl-N-[4-(9-phenylcarbazol-3-yl)cyclohexa-1,3-dien-1-yl]-5,9a-dihydro-4bH-benzo[a]azulen-7-amine
SMILESCC1(C)c2cccc(C3=CCCC=C3)c2C2CC=C(N(C3=CC=C(c4ccc5c(c4)c4ccccc4n5-c4ccccc4)CC3)c3ccc(C4C=CC=CC4)cc3)C=CC21
InChIInChI=1S/C58H52N2/c1-58(2)53-37-35-48(34-36-51(53)57-49(22-14-23-54(57)58)43-17-8-4-9-18-43)59(46-30-25-41(26-31-46)40-15-6-3-7-16-40)47-32-27-42(28-33-47)44-29-38-56-52(39-44)50-21-12-13-24-55(50)60(56)45-19-10-5-11-20-45/h3,5-8,10-15,17-27,29-32,34-35,37-40,51,53H,4,9,16,28,33,36H2,1-2H3
InChIKeyVSPLUDJTSJBTHZ-UHFFFAOYSA-N
MW777.07 g/mol
LogP15.22
Rot. Bonds7

About 4-cyclohexa-1,5-dien-1-yl-N-(4-cyclohexa-2,4-dien-1-ylphenyl)-10,10-dimethyl-N-[4-(9-phenylcarbazol-3-yl)cyclohexa-1,3-dien-1-yl]-5,9a-dihydro-4bH-benzo[a]azulen-7-amine

4-cyclohexa-1,5-dien-1-yl-N-(4-cyclohexa-2,4-dien-1-ylphenyl)-10,10-dimethyl-N-[4-(9-phenylcarbazol-3-yl)cyclohexa-1,3-dien-1-yl]-5,9a-dihydro-4bH-benzo[a]azulen-7-amine (PubChem CID 138723851) has the molecular formula C58H52N2 and a molecular weight of 777.07 g/mol. Its IUPAC name is 4-cyclohexa-1,5-dien-1-yl-N-(4-cyclohexa-2,4-dien-1-ylphenyl)-10,10-dimethyl-N-[4-(9-phenylcarbazol-3-yl)cyclohexa-1,3-dien-1-yl]-5,9a-dihydro-4bH-benzo[a]azulen-7-amine.

Molecular Properties

Compound Name4-cyclohexa-1,5-dien-1-yl-N-(4-cyclohexa-2,4-dien-1-ylphenyl)-10,10-dimethyl-N-[4-(9-phenylcarbazol-3-yl)cyclohexa-1,3-dien-1-yl]-5,9a-dihydro-4bH-benzo[a]azulen-7-amine
PubChem CID138723851
Molecular FormulaC58H52N2
Molecular Weight777.07 g/mol
Exact Mass776.41
IUPAC Name4-cyclohexa-1,5-dien-1-yl-N-(4-cyclohexa-2,4-dien-1-ylphenyl)-10,10-dimethyl-N-[4-(9-phenylcarbazol-3-yl)cyclohexa-1,3-dien-1-yl]-5,9a-dihydro-4bH-benzo[a]azulen-7-amine
SMILESCC1(C)c2cccc(C3=CCCC=C3)c2C2CC=C(N(C3=CC=C(c4ccc5c(c4)c4ccccc4n5-c4ccccc4)CC3)c3ccc(C4C=CC=CC4)cc3)C=CC21
InChIInChI=1S/C58H52N2/c1-58(2)53-37-35-48(34-36-51(53)57-49(22-14-23-54(57)58)43-17-8-4-9-18-43)59(46-30-25-41(26-31-46)40-15-6-3-7-16-40)47-32-27-42(28-33-47)44-29-38-56-52(39-44)50-21-12-13-24-55(50)60(56)45-19-10-5-11-20-45/h3,5-8,10-15,17-27,29-32,34-35,37-40,51,53H,4,9,16,28,33,36H2,1-2H3
InChIKeyVSPLUDJTSJBTHZ-UHFFFAOYSA-N
XLogP15.22
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.07
LogP ≤ 515.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-cyclohexa-1,5-dien-1-yl-N-(4-cyclohexa-2,4-dien-1-ylphenyl)-10,10-dimethyl-N-[4-(9-phenylcarbazol-3-yl)cyclohexa-1,3-dien-1-yl]-5,9a-dihydro-4bH-benzo[a]azulen-7-amine with MolForge

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Related Compounds

3-cyclohexa-1,5-dien-1-yl-5-(6-cyclohexa-2,4-dien-1-yl-9-phenylcarbazol-4-yl)-9-phenylcarbazole
CID 170002276
N-phenyl-4-[4-(9-phenylcarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]cyclohexa-1,3-dien-1-yl]aniline
CID 166723421
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
4-(7,7-dimethyl-5-thia-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),3,8,10,12(19),13(18),14,16-octaen-15-yl)-N-(4-phenylcyclohexa-1,3-dien-1-yl)-N-(4-phenylcyclohexa-1,5-dien-1-yl)aniline
CID 123250154
N-[4-(4-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-amine
CID 175631019
9-[4-[2-(4-cyclohexa-2,4-dien-1-yl-N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)-3,4-dihydrocarbazol-9-yl]phenyl]-N,N-bis(4-phenylphenyl)carbazol-2-amine
CID 88869766
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 166958703
N-(4-cyclohexa-2,4-dien-1-ylcyclohexa-1,5-dien-1-yl)-9,9-diphenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine
CID 163427849
9-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 126598546
N-[6-(4-cyclohexa-2,4-dien-1-ylphenyl)-9-phenylcarbazol-3-yl]-N-naphthalen-1-yl-9-phenyl-6-(4-phenylcyclohexa-1,5-dien-1-yl)carbazol-3-amine
CID 163564194
4-cyclohexa-2,4-dien-1-yl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)anilino)phenyl]phenyl]aniline
CID 145474495
N-cyclohexa-1,5-dien-1-yl-9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 170320114

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-1,5-dien-1-yl-N-(4-cyclohexa-2,4-dien-1-ylphenyl)-10,10-dimethyl-N-[4-(9-phenylcarbazol-3-yl)cyclohexa-1,3-dien-1-yl]-5,9a-dihydro-4bH-benzo[a]azulen-7-amine?
The IUPAC name of 4-cyclohexa-1,5-dien-1-yl-N-(4-cyclohexa-2,4-dien-1-ylphenyl)-10,10-dimethyl-N-[4-(9-phenylcarbazol-3-yl)cyclohexa-1,3-dien-1-yl]-5,9a-dihydro-4bH-benzo[a]azulen-7-amine (CID 138723851) is 4-cyclohexa-1,5-dien-1-yl-N-(4-cyclohexa-2,4-dien-1-ylphenyl)-10,10-dimethyl-N-[4-(9-phenylcarbazol-3-yl)cyclohexa-1,3-dien-1-yl]-5,9a-dihydro-4bH-benzo[a]azulen-7-amine.
What is the SMILES notation for 4-cyclohexa-1,5-dien-1-yl-N-(4-cyclohexa-2,4-dien-1-ylphenyl)-10,10-dimethyl-N-[4-(9-phenylcarbazol-3-yl)cyclohexa-1,3-dien-1-yl]-5,9a-dihydro-4bH-benzo[a]azulen-7-amine?
The canonical SMILES for 4-cyclohexa-1,5-dien-1-yl-N-(4-cyclohexa-2,4-dien-1-ylphenyl)-10,10-dimethyl-N-[4-(9-phenylcarbazol-3-yl)cyclohexa-1,3-dien-1-yl]-5,9a-dihydro-4bH-benzo[a]azulen-7-amine is CC1(C)c2cccc(C3=CCCC=C3)c2C2CC=C(N(C3=CC=C(c4ccc5c(c4)c4ccccc4n5-c4ccccc4)CC3)c3ccc(C4C=CC=CC4)cc3)C=CC21.
What is the InChIKey of 4-cyclohexa-1,5-dien-1-yl-N-(4-cyclohexa-2,4-dien-1-ylphenyl)-10,10-dimethyl-N-[4-(9-phenylcarbazol-3-yl)cyclohexa-1,3-dien-1-yl]-5,9a-dihydro-4bH-benzo[a]azulen-7-amine?
The InChIKey is VSPLUDJTSJBTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H52N2/c1-58(2)53-37-35-48(34-36-51(53)57-49(22-14-23-54(57)58)43-17-8-4-9-18-43)59(46-30-25-41(26-31-46)40-15-6-3-7-16-40)47-32-27-42(28-33-47)44-29-38-56-52(39-44)50-21-12-13-24-55(50)60(56)45-19-10-5-11-20-45/h3,5-8,10-15,17-27,29-32,34-35,37-40,51,53H,4,9,16,28,33,36H2,1-2H3.
What are the key properties of 4-cyclohexa-1,5-dien-1-yl-N-(4-cyclohexa-2,4-dien-1-ylphenyl)-10,10-dimethyl-N-[4-(9-phenylcarbazol-3-yl)cyclohexa-1,3-dien-1-yl]-5,9a-dihydro-4bH-benzo[a]azulen-7-amine?
4-cyclohexa-1,5-dien-1-yl-N-(4-cyclohexa-2,4-dien-1-ylphenyl)-10,10-dimethyl-N-[4-(9-phenylcarbazol-3-yl)cyclohexa-1,3-dien-1-yl]-5,9a-dihydro-4bH-benzo[a]azulen-7-amine has a molecular weight of 777.07 g/mol, XLogP of 15.22, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-1,5-dien-1-yl-N-(4-cyclohexa-2,4-dien-1-ylphenyl)-10,10-dimethyl-N-[4-(9-phenylcarbazol-3-yl)cyclohexa-1,3-dien-1-yl]-5,9a-dihydro-4bH-benzo[a]azulen-7-amine is sourced from PubChem (CID 138723851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).