N-[4-[4-[(9-cyclohexa-1,5-dien-1-yl-4a,7,8,9a-tetrahydrocarbazol-2-yl)-(cyclohexen-1-yl)amino]phenyl]cyclohexa-1,3-dien-1-yl]-N,9-diphenyl-2,3,5,6-tetrahydrocarbazol-2-amine

C60H58N4 — CID 170002077

IUPACN-[4-[4-[(9-cyclohexa-1,5-dien-1-yl-4a,7,8,9a-tetrahydrocarbazol-2-yl)-(cyclohexen-1-yl)amino]phenyl]cyclohexa-1,3-dien-1-yl]-N,9-diphenyl-2,3,5,6-tetrahydrocarbazol-2-amine
SMILESC1=CC(N2C3=C(C=CCC3)C3C=CC(N(C4=CCCCC4)c4ccc(C5=CC=C(N(c6ccccc6)C6C=c7c(c8c(n7-c7ccccc7)C=CCC8)=CC6)CC5)cc4)=CC32)=CCC1
InChIInChI=1S/C60H58N4/c1-5-17-45(18-6-1)61(51-37-39-55-53-25-13-15-27-57(53)63(59(55)41-51)47-21-9-3-10-22-47)49-33-29-43(30-34-49)44-31-35-50(36-32-44)62(46-19-7-2-8-20-46)52-38-40-56-54-26-14-16-28-58(54)64(60(56)42-52)48-23-11-4-12-24-48/h1,3,5-6,9-11,14-15,17-19,21-24,26-27,29,31-33,35-36,38-42,51,56,60H,2,4,7-8,12-13,16,20,25,28,30,34,37H2
InChIKeyDGVKQONQAKAGTK-UHFFFAOYSA-N
MW835.15 g/mol
LogP12.89
Rot. Bonds9

About N-[4-[4-[(9-cyclohexa-1,5-dien-1-yl-4a,7,8,9a-tetrahydrocarbazol-2-yl)-(cyclohexen-1-yl)amino]phenyl]cyclohexa-1,3-dien-1-yl]-N,9-diphenyl-2,3,5,6-tetrahydrocarbazol-2-amine

N-[4-[4-[(9-cyclohexa-1,5-dien-1-yl-4a,7,8,9a-tetrahydrocarbazol-2-yl)-(cyclohexen-1-yl)amino]phenyl]cyclohexa-1,3-dien-1-yl]-N,9-diphenyl-2,3,5,6-tetrahydrocarbazol-2-amine (PubChem CID 170002077) has the molecular formula C60H58N4 and a molecular weight of 835.15 g/mol. Its IUPAC name is N-[4-[4-[(9-cyclohexa-1,5-dien-1-yl-4a,7,8,9a-tetrahydrocarbazol-2-yl)-(cyclohexen-1-yl)amino]phenyl]cyclohexa-1,3-dien-1-yl]-N,9-diphenyl-2,3,5,6-tetrahydrocarbazol-2-amine.

Molecular Properties

Compound NameN-[4-[4-[(9-cyclohexa-1,5-dien-1-yl-4a,7,8,9a-tetrahydrocarbazol-2-yl)-(cyclohexen-1-yl)amino]phenyl]cyclohexa-1,3-dien-1-yl]-N,9-diphenyl-2,3,5,6-tetrahydrocarbazol-2-amine
PubChem CID170002077
Molecular FormulaC60H58N4
Molecular Weight835.15 g/mol
Exact Mass834.47
IUPAC NameN-[4-[4-[(9-cyclohexa-1,5-dien-1-yl-4a,7,8,9a-tetrahydrocarbazol-2-yl)-(cyclohexen-1-yl)amino]phenyl]cyclohexa-1,3-dien-1-yl]-N,9-diphenyl-2,3,5,6-tetrahydrocarbazol-2-amine
SMILESC1=CC(N2C3=C(C=CCC3)C3C=CC(N(C4=CCCCC4)c4ccc(C5=CC=C(N(c6ccccc6)C6C=c7c(c8c(n7-c7ccccc7)C=CCC8)=CC6)CC5)cc4)=CC32)=CCC1
InChIInChI=1S/C60H58N4/c1-5-17-45(18-6-1)61(51-37-39-55-53-25-13-15-27-57(53)63(59(55)41-51)47-21-9-3-10-22-47)49-33-29-43(30-34-49)44-31-35-50(36-32-44)62(46-19-7-2-8-20-46)52-38-40-56-54-26-14-16-28-58(54)64(60(56)42-52)48-23-11-4-12-24-48/h1,3,5-6,9-11,14-15,17-19,21-24,26-27,29,31-33,35-36,38-42,51,56,60H,2,4,7-8,12-13,16,20,25,28,30,34,37H2
InChIKeyDGVKQONQAKAGTK-UHFFFAOYSA-N
XLogP12.89
TPSA14.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500835.15
LogP ≤ 512.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-[4-[(9-cyclohexa-1,5-dien-1-yl-4a,7,8,9a-tetrahydrocarbazol-2-yl)-(cyclohexen-1-yl)amino]phenyl]cyclohexa-1,3-dien-1-yl]-N,9-diphenyl-2,3,5,6-tetrahydrocarbazol-2-amine with MolForge

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Related Compounds

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-cyclohexa-1,5-dien-1-yl-N-(cyclohexen-1-yl)-4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 131995472
N-cyclohexa-1,3-dien-1-yl-9-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-(4-cyclohex-3-en-1-ylcyclohexa-1,3-dien-1-yl)phenyl]-2,3-dihydrocarbazol-2-amine
CID 170003265
N-[4-[4-(1,2,4b,8a-tetrahydrocarbazol-9-yl)phenyl]phenyl]-N-[4-[4-(4-methylphenyl)phenyl]phenyl]-4-phenylaniline
CID 167211102
N-cyclohexa-1,3-dien-1-yl-9-cyclohexa-1,5-dien-1-yl-N-[4-[4-(N-(9-cyclohex-2-en-1-yl-1,2,4a,9a-tetrahydrocarbazol-2-yl)anilino)-4-methylcyclohexa-1,5-dien-1-yl]phenyl]-2,3-dihydrocarbazol-2-amine
CID 170003390
4-N-(9-cyclohexa-1,5-dien-1-yl-5,6-dihydrocarbazol-3-yl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 143216545
N-cyclohexa-1,3-dien-1-yl-N-[4-(2-phenylindol-1-yl)cyclohexa-2,4-dien-1-yl]-4-[4-(N-[4-(2-phenylindol-1-yl)phenyl]anilino)phenyl]aniline
CID 137428152
9-(4-phenylcyclohexa-1,5-dien-1-yl)-7-triphenylen-2-yl-1,2,4b,8a-tetrahydrocarbazole
CID 137397812
N-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-(cyclohexen-1-yl)-2'-[4-(N-cyclohex-3-en-1-ylanilino)cyclohexa-1,3-dien-1-yl]-9,9'-spirobi[fluorene]-4-amine
CID 135217918
6-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-[4-[1-phenyl-5-[4-[(4-phenylcyclohexa-1,3-dien-1-yl)-(6-phenyl-3-pyridinyl)amino]phenyl]pyrrol-2-yl]phenyl]pyridin-3-amine
CID 155356487
N-cyclohexa-1,5-dien-1-yl-4-[4-(N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)cyclohexa-1,3-dien-1-yl]-N-(4-phenylphenyl)aniline
CID 90939241
4-cyclohexa-1,3-dien-1-yl-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-[4-[4-(1,2,3,4,6,7-hexahydrocarbazol-9-yl)phenyl]phenyl]aniline
CID 170257238

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(9-cyclohexa-1,5-dien-1-yl-4a,7,8,9a-tetrahydrocarbazol-2-yl)-(cyclohexen-1-yl)amino]phenyl]cyclohexa-1,3-dien-1-yl]-N,9-diphenyl-2,3,5,6-tetrahydrocarbazol-2-amine?
The IUPAC name of N-[4-[4-[(9-cyclohexa-1,5-dien-1-yl-4a,7,8,9a-tetrahydrocarbazol-2-yl)-(cyclohexen-1-yl)amino]phenyl]cyclohexa-1,3-dien-1-yl]-N,9-diphenyl-2,3,5,6-tetrahydrocarbazol-2-amine (CID 170002077) is N-[4-[4-[(9-cyclohexa-1,5-dien-1-yl-4a,7,8,9a-tetrahydrocarbazol-2-yl)-(cyclohexen-1-yl)amino]phenyl]cyclohexa-1,3-dien-1-yl]-N,9-diphenyl-2,3,5,6-tetrahydrocarbazol-2-amine.
What is the SMILES notation for N-[4-[4-[(9-cyclohexa-1,5-dien-1-yl-4a,7,8,9a-tetrahydrocarbazol-2-yl)-(cyclohexen-1-yl)amino]phenyl]cyclohexa-1,3-dien-1-yl]-N,9-diphenyl-2,3,5,6-tetrahydrocarbazol-2-amine?
The canonical SMILES for N-[4-[4-[(9-cyclohexa-1,5-dien-1-yl-4a,7,8,9a-tetrahydrocarbazol-2-yl)-(cyclohexen-1-yl)amino]phenyl]cyclohexa-1,3-dien-1-yl]-N,9-diphenyl-2,3,5,6-tetrahydrocarbazol-2-amine is C1=CC(N2C3=C(C=CCC3)C3C=CC(N(C4=CCCCC4)c4ccc(C5=CC=C(N(c6ccccc6)C6C=c7c(c8c(n7-c7ccccc7)C=CCC8)=CC6)CC5)cc4)=CC32)=CCC1.
What is the InChIKey of N-[4-[4-[(9-cyclohexa-1,5-dien-1-yl-4a,7,8,9a-tetrahydrocarbazol-2-yl)-(cyclohexen-1-yl)amino]phenyl]cyclohexa-1,3-dien-1-yl]-N,9-diphenyl-2,3,5,6-tetrahydrocarbazol-2-amine?
The InChIKey is DGVKQONQAKAGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H58N4/c1-5-17-45(18-6-1)61(51-37-39-55-53-25-13-15-27-57(53)63(59(55)41-51)47-21-9-3-10-22-47)49-33-29-43(30-34-49)44-31-35-50(36-32-44)62(46-19-7-2-8-20-46)52-38-40-56-54-26-14-16-28-58(54)64(60(56)42-52)48-23-11-4-12-24-48/h1,3,5-6,9-11,14-15,17-19,21-24,26-27,29,31-33,35-36,38-42,51,56,60H,2,4,7-8,12-13,16,20,25,28,30,34,37H2.
What are the key properties of N-[4-[4-[(9-cyclohexa-1,5-dien-1-yl-4a,7,8,9a-tetrahydrocarbazol-2-yl)-(cyclohexen-1-yl)amino]phenyl]cyclohexa-1,3-dien-1-yl]-N,9-diphenyl-2,3,5,6-tetrahydrocarbazol-2-amine?
N-[4-[4-[(9-cyclohexa-1,5-dien-1-yl-4a,7,8,9a-tetrahydrocarbazol-2-yl)-(cyclohexen-1-yl)amino]phenyl]cyclohexa-1,3-dien-1-yl]-N,9-diphenyl-2,3,5,6-tetrahydrocarbazol-2-amine has a molecular weight of 835.15 g/mol, XLogP of 12.89, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(9-cyclohexa-1,5-dien-1-yl-4a,7,8,9a-tetrahydrocarbazol-2-yl)-(cyclohexen-1-yl)amino]phenyl]cyclohexa-1,3-dien-1-yl]-N,9-diphenyl-2,3,5,6-tetrahydrocarbazol-2-amine is sourced from PubChem (CID 170002077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).