2-N-(3-carbazol-9-ylphenyl)-1-N-[3-(1,2-dihydrocarbazol-9-yl)phenyl]benzene-1,2-diamine

C42H32N4 — CID 66828059

IUPAC2-N-(3-carbazol-9-ylphenyl)-1-N-[3-(1,2-dihydrocarbazol-9-yl)phenyl]benzene-1,2-diamine
SMILESC1=Cc2c(n(-c3cccc(Nc4ccccc4Nc4cccc(-n5c6ccccc6c6ccccc65)c4)c3)c3ccccc23)CC1
InChIInChI=1S/C42H32N4/c1-7-23-39-33(17-1)34-18-2-8-24-40(34)45(39)31-15-11-13-29(27-31)43-37-21-5-6-22-38(37)44-30-14-12-16-32(28-30)46-41-25-9-3-19-35(41)36-20-4-10-26-42(36)46/h1-9,11-25,27-28,43-44H,10,26H2
InChIKeyZJSGCDAXGLKCMS-UHFFFAOYSA-N
MW592.75 g/mol
LogP11.17
Rot. Bonds6

About 2-N-(3-carbazol-9-ylphenyl)-1-N-[3-(1,2-dihydrocarbazol-9-yl)phenyl]benzene-1,2-diamine

2-N-(3-carbazol-9-ylphenyl)-1-N-[3-(1,2-dihydrocarbazol-9-yl)phenyl]benzene-1,2-diamine (PubChem CID 66828059) has the molecular formula C42H32N4 and a molecular weight of 592.75 g/mol. Its IUPAC name is 2-N-(3-carbazol-9-ylphenyl)-1-N-[3-(1,2-dihydrocarbazol-9-yl)phenyl]benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-carbazol-9-ylphenyl)-1-N-[3-(1,2-dihydrocarbazol-9-yl)phenyl]benzene-1,2-diamine
PubChem CID66828059
Molecular FormulaC42H32N4
Molecular Weight592.75 g/mol
Exact Mass592.26
IUPAC Name2-N-(3-carbazol-9-ylphenyl)-1-N-[3-(1,2-dihydrocarbazol-9-yl)phenyl]benzene-1,2-diamine
SMILESC1=Cc2c(n(-c3cccc(Nc4ccccc4Nc4cccc(-n5c6ccccc6c6ccccc65)c4)c3)c3ccccc23)CC1
InChIInChI=1S/C42H32N4/c1-7-23-39-33(17-1)34-18-2-8-24-40(34)45(39)31-15-11-13-29(27-31)43-37-21-5-6-22-38(37)44-30-14-12-16-32(28-30)46-41-25-9-3-19-35(41)36-20-4-10-26-42(36)46/h1-9,11-25,27-28,43-44H,10,26H2
InChIKeyZJSGCDAXGLKCMS-UHFFFAOYSA-N
XLogP11.17
TPSA33.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.75
LogP ≤ 511.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-N-(3-carbazol-9-ylphenyl)-1-N-[3-(1,2-dihydrocarbazol-9-yl)phenyl]benzene-1,2-diamine with MolForge

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Related Compounds

9-[3-[6-[6-[3-(1,2-dihydrocarbazol-9-yl)phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]carbazole
CID 71013433
9-phenyl-2-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazole
CID 144650170
9-[8-(1,2-dihydrocarbazol-9-yl)dibenzothiophen-2-yl]carbazole
CID 118698975
9-[6-(1,2-dihydrocarbazol-9-yl)-9,10-dimethylanthracen-2-yl]carbazole
CID 88673510
9-[6-(1,2-dihydrocarbazol-9-yl)-9,10-diphenylanthracen-2-yl]carbazole
CID 89110822
N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167211221
5-phenyl-7,8-dihydro-6H-cyclohepta[b]indole
CID 143532296
9-[3-[4-(3-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2-dihydrocarbazole
CID 126627650
N-(3-carbazol-9-ylphenyl)-2-phenylaniline
CID 70950994
[3,5-bis(1,2-dihydrocarbazol-9-yl)phenyl]methanol
CID 70991147
9-[4-methyl-3-(2-methylphenyl)phenyl]-1,2-dihydrocarbazole
CID 129215312
6-[3-(3-carbazol-9-ylphenyl)phenyl]-2-[9-[3-(1,2-dihydrocarbazol-9-yl)phenyl]carbazol-4-yl]-9-methylcarbazole
CID 163941153

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-carbazol-9-ylphenyl)-1-N-[3-(1,2-dihydrocarbazol-9-yl)phenyl]benzene-1,2-diamine?
The IUPAC name of 2-N-(3-carbazol-9-ylphenyl)-1-N-[3-(1,2-dihydrocarbazol-9-yl)phenyl]benzene-1,2-diamine (CID 66828059) is 2-N-(3-carbazol-9-ylphenyl)-1-N-[3-(1,2-dihydrocarbazol-9-yl)phenyl]benzene-1,2-diamine.
What is the SMILES notation for 2-N-(3-carbazol-9-ylphenyl)-1-N-[3-(1,2-dihydrocarbazol-9-yl)phenyl]benzene-1,2-diamine?
The canonical SMILES for 2-N-(3-carbazol-9-ylphenyl)-1-N-[3-(1,2-dihydrocarbazol-9-yl)phenyl]benzene-1,2-diamine is C1=Cc2c(n(-c3cccc(Nc4ccccc4Nc4cccc(-n5c6ccccc6c6ccccc65)c4)c3)c3ccccc23)CC1.
What is the InChIKey of 2-N-(3-carbazol-9-ylphenyl)-1-N-[3-(1,2-dihydrocarbazol-9-yl)phenyl]benzene-1,2-diamine?
The InChIKey is ZJSGCDAXGLKCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H32N4/c1-7-23-39-33(17-1)34-18-2-8-24-40(34)45(39)31-15-11-13-29(27-31)43-37-21-5-6-22-38(37)44-30-14-12-16-32(28-30)46-41-25-9-3-19-35(41)36-20-4-10-26-42(36)46/h1-9,11-25,27-28,43-44H,10,26H2.
What are the key properties of 2-N-(3-carbazol-9-ylphenyl)-1-N-[3-(1,2-dihydrocarbazol-9-yl)phenyl]benzene-1,2-diamine?
2-N-(3-carbazol-9-ylphenyl)-1-N-[3-(1,2-dihydrocarbazol-9-yl)phenyl]benzene-1,2-diamine has a molecular weight of 592.75 g/mol, XLogP of 11.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-carbazol-9-ylphenyl)-1-N-[3-(1,2-dihydrocarbazol-9-yl)phenyl]benzene-1,2-diamine is sourced from PubChem (CID 66828059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).