N-(4-carbazol-9-ylphenyl)-4-(6H-cyclohepta[b]indol-5-yl)-N-[4-(10H-cyclohepta[b]indol-5-yl)phenyl]aniline

C56H40N4 — CID 145313886

IUPACN-(4-carbazol-9-ylphenyl)-4-(6H-cyclohepta[b]indol-5-yl)-N-[4-(10H-cyclohepta[b]indol-5-yl)phenyl]aniline
SMILESC1=CCc2c(n(-c3ccc(N(c4ccc(-n5c6c(c7ccccc75)C=CC=CC6)cc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3ccccc23)C=C1
InChIInChI=1S/C56H40N4/c1-3-15-45-47-17-7-11-23-53(47)58(51(45)21-5-1)42-33-27-39(28-34-42)57(41-31-37-44(38-32-41)60-55-25-13-9-19-49(55)50-20-10-14-26-56(50)60)40-29-35-43(36-30-40)59-52-22-6-2-4-16-46(52)48-18-8-12-24-54(48)59/h1-15,17-20,22-38H,16,21H2
InChIKeyZNCLMSSVHRGQLL-UHFFFAOYSA-N
MW768.96 g/mol
LogP14.39
Rot. Bonds6

About N-(4-carbazol-9-ylphenyl)-4-(6H-cyclohepta[b]indol-5-yl)-N-[4-(10H-cyclohepta[b]indol-5-yl)phenyl]aniline

N-(4-carbazol-9-ylphenyl)-4-(6H-cyclohepta[b]indol-5-yl)-N-[4-(10H-cyclohepta[b]indol-5-yl)phenyl]aniline (PubChem CID 145313886) has the molecular formula C56H40N4 and a molecular weight of 768.96 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-4-(6H-cyclohepta[b]indol-5-yl)-N-[4-(10H-cyclohepta[b]indol-5-yl)phenyl]aniline.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-4-(6H-cyclohepta[b]indol-5-yl)-N-[4-(10H-cyclohepta[b]indol-5-yl)phenyl]aniline
PubChem CID145313886
Molecular FormulaC56H40N4
Molecular Weight768.96 g/mol
Exact Mass768.33
IUPAC NameN-(4-carbazol-9-ylphenyl)-4-(6H-cyclohepta[b]indol-5-yl)-N-[4-(10H-cyclohepta[b]indol-5-yl)phenyl]aniline
SMILESC1=CCc2c(n(-c3ccc(N(c4ccc(-n5c6c(c7ccccc75)C=CC=CC6)cc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3ccccc23)C=C1
InChIInChI=1S/C56H40N4/c1-3-15-45-47-17-7-11-23-53(47)58(51(45)21-5-1)42-33-27-39(28-34-42)57(41-31-37-44(38-32-41)60-55-25-13-9-19-49(55)50-20-10-14-26-56(50)60)40-29-35-43(36-30-40)59-52-22-6-2-4-16-46(52)48-18-8-12-24-54(48)59/h1-15,17-20,22-38H,16,21H2
InChIKeyZNCLMSSVHRGQLL-UHFFFAOYSA-N
XLogP14.39
TPSA18.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.96
LogP ≤ 514.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-phenyl-2-(9-phenylcarbazol-3-yl)-6H-cyclohepta[b]indole
CID 123942675
N-(4-carbazol-9-ylphenyl)-N-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-4-(3,4,5,6-tetrahydrocarbazol-9-yl)aniline
CID 130371057
5-[6-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-10H-cyclohepta[b]indole
CID 144673812
5-[4-[5-(4-carbazol-9-ylnaphthalen-1-yl)-1-phenylpyrrol-2-yl]naphthalen-1-yl]-6H-cyclohepta[b]indole
CID 143850975
4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 20607981
5-[4-[4-[(3Z,5Z)-2,7-dihydro-1-benzazonin-1-yl]phenyl]phenyl]-10H-cyclohepta[b]indole
CID 129084472
N,4-bis(4-carbazol-9-ylphenyl)-N-[4-(4-carbazol-9-ylphenyl)phenyl]aniline
CID 20608008
N,4-bis(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 90296019
4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 160833805
4-(4a,9a-dihydrocarbazol-9-yl)-N-(4-carbazol-9-ylphenyl)-N-[4-(3,4-dihydrocarbazol-9-yl)phenyl]aniline
CID 146413450
4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-N,N-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]aniline
CID 71493884
ethane;5-[4-[4-[3-methyl-2-(2-methylbut-3-enyl)indol-1-yl]phenyl]phenyl]-6H-cyclohepta[b]indole
CID 143060434

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-4-(6H-cyclohepta[b]indol-5-yl)-N-[4-(10H-cyclohepta[b]indol-5-yl)phenyl]aniline?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-4-(6H-cyclohepta[b]indol-5-yl)-N-[4-(10H-cyclohepta[b]indol-5-yl)phenyl]aniline (CID 145313886) is N-(4-carbazol-9-ylphenyl)-4-(6H-cyclohepta[b]indol-5-yl)-N-[4-(10H-cyclohepta[b]indol-5-yl)phenyl]aniline.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-4-(6H-cyclohepta[b]indol-5-yl)-N-[4-(10H-cyclohepta[b]indol-5-yl)phenyl]aniline?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-4-(6H-cyclohepta[b]indol-5-yl)-N-[4-(10H-cyclohepta[b]indol-5-yl)phenyl]aniline is C1=CCc2c(n(-c3ccc(N(c4ccc(-n5c6c(c7ccccc75)C=CC=CC6)cc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3ccccc23)C=C1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-4-(6H-cyclohepta[b]indol-5-yl)-N-[4-(10H-cyclohepta[b]indol-5-yl)phenyl]aniline?
The InChIKey is ZNCLMSSVHRGQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H40N4/c1-3-15-45-47-17-7-11-23-53(47)58(51(45)21-5-1)42-33-27-39(28-34-42)57(41-31-37-44(38-32-41)60-55-25-13-9-19-49(55)50-20-10-14-26-56(50)60)40-29-35-43(36-30-40)59-52-22-6-2-4-16-46(52)48-18-8-12-24-54(48)59/h1-15,17-20,22-38H,16,21H2.
What are the key properties of N-(4-carbazol-9-ylphenyl)-4-(6H-cyclohepta[b]indol-5-yl)-N-[4-(10H-cyclohepta[b]indol-5-yl)phenyl]aniline?
N-(4-carbazol-9-ylphenyl)-4-(6H-cyclohepta[b]indol-5-yl)-N-[4-(10H-cyclohepta[b]indol-5-yl)phenyl]aniline has a molecular weight of 768.96 g/mol, XLogP of 14.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-4-(6H-cyclohepta[b]indol-5-yl)-N-[4-(10H-cyclohepta[b]indol-5-yl)phenyl]aniline is sourced from PubChem (CID 145313886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).