N-[4-(10H-cyclohepta[b]indol-5-yl)phenyl]-2-phenylaniline

C31H24N2 — CID 143650211

IUPACN-[4-(10H-cyclohepta[b]indol-5-yl)phenyl]-2-phenylaniline
SMILESC1=CCc2c(n(-c3ccc(Nc4ccccc4-c4ccccc4)cc3)c3ccccc23)C=C1
InChIInChI=1S/C31H24N2/c1-3-11-23(12-4-1)26-13-7-9-16-29(26)32-24-19-21-25(22-20-24)33-30-17-6-2-5-14-27(30)28-15-8-10-18-31(28)33/h1-13,15-22,32H,14H2
InChIKeyHALVVDBLNNBJJC-UHFFFAOYSA-N
MW424.55 g/mol
LogP8.17
Rot. Bonds4

About N-[4-(10H-cyclohepta[b]indol-5-yl)phenyl]-2-phenylaniline

N-[4-(10H-cyclohepta[b]indol-5-yl)phenyl]-2-phenylaniline (PubChem CID 143650211) has the molecular formula C31H24N2 and a molecular weight of 424.55 g/mol. Its IUPAC name is N-[4-(10H-cyclohepta[b]indol-5-yl)phenyl]-2-phenylaniline.

Molecular Properties

Compound NameN-[4-(10H-cyclohepta[b]indol-5-yl)phenyl]-2-phenylaniline
PubChem CID143650211
Molecular FormulaC31H24N2
Molecular Weight424.55 g/mol
Exact Mass424.19
IUPAC NameN-[4-(10H-cyclohepta[b]indol-5-yl)phenyl]-2-phenylaniline
SMILESC1=CCc2c(n(-c3ccc(Nc4ccccc4-c4ccccc4)cc3)c3ccccc23)C=C1
InChIInChI=1S/C31H24N2/c1-3-11-23(12-4-1)26-13-7-9-16-29(26)32-24-19-21-25(22-20-24)33-30-17-6-2-5-14-27(30)28-15-8-10-18-31(28)33/h1-13,15-22,32H,14H2
InChIKeyHALVVDBLNNBJJC-UHFFFAOYSA-N
XLogP8.17
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.55
LogP ≤ 58.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
4-[6-methyl-9-(4-phenylphenyl)-5,6-dihydrocarbazol-3-yl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 118686849
N-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-4-phenylaniline
CID 134380568
2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 121360373
N-(4-carbazol-9-ylphenyl)-4-(6H-cyclohepta[b]indol-5-yl)-N-[4-(10H-cyclohepta[b]indol-5-yl)phenyl]aniline
CID 145313886
N-(3-carbazol-9-ylphenyl)-2-phenylaniline
CID 70950994
N-[4-[4-(4-carbazol-9-ylphenyl)-2,5-dimethylphenyl]phenyl]-2-(2-methylphenyl)aniline
CID 118033701
2-(4-carbazol-9-ylphenyl)-5-[4-(2-phenylanilino)phenyl]pentalene-1,4-dicarbonitrile
CID 163652747
4-carbazol-9-yl-N,2-diphenylaniline
CID 121360313
2-(4-phenylphenyl)-N-[4-[4-[2-(4-phenylphenyl)anilino]phenyl]phenyl]aniline
CID 69449342
5-carbazol-9-yl-2-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)aniline
CID 163631547
9-[2-(3-carbazol-9-ylphenyl)phenyl]-N-(2-phenylphenyl)carbazol-3-amine
CID 169288929

Frequently Asked Questions

What is the IUPAC name of N-[4-(10H-cyclohepta[b]indol-5-yl)phenyl]-2-phenylaniline?
The IUPAC name of N-[4-(10H-cyclohepta[b]indol-5-yl)phenyl]-2-phenylaniline (CID 143650211) is N-[4-(10H-cyclohepta[b]indol-5-yl)phenyl]-2-phenylaniline.
What is the SMILES notation for N-[4-(10H-cyclohepta[b]indol-5-yl)phenyl]-2-phenylaniline?
The canonical SMILES for N-[4-(10H-cyclohepta[b]indol-5-yl)phenyl]-2-phenylaniline is C1=CCc2c(n(-c3ccc(Nc4ccccc4-c4ccccc4)cc3)c3ccccc23)C=C1.
What is the InChIKey of N-[4-(10H-cyclohepta[b]indol-5-yl)phenyl]-2-phenylaniline?
The InChIKey is HALVVDBLNNBJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24N2/c1-3-11-23(12-4-1)26-13-7-9-16-29(26)32-24-19-21-25(22-20-24)33-30-17-6-2-5-14-27(30)28-15-8-10-18-31(28)33/h1-13,15-22,32H,14H2.
What are the key properties of N-[4-(10H-cyclohepta[b]indol-5-yl)phenyl]-2-phenylaniline?
N-[4-(10H-cyclohepta[b]indol-5-yl)phenyl]-2-phenylaniline has a molecular weight of 424.55 g/mol, XLogP of 8.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(10H-cyclohepta[b]indol-5-yl)phenyl]-2-phenylaniline is sourced from PubChem (CID 143650211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).