4-N-[4-[N-[4-(4-aminoanilino)phenyl]-4-(9H-carbazol-1-yl)anilino]phenyl]benzene-1,4-diamine

C42H34N6 — CID 175505714

IUPAC4-N-[4-[N-[4-(4-aminoanilino)phenyl]-4-(9H-carbazol-1-yl)anilino]phenyl]benzene-1,4-diamine
SMILESNc1ccc(Nc2ccc(N(c3ccc(Nc4ccc(N)cc4)cc3)c3ccc(-c4cccc5c4[nH]c4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C42H34N6/c43-29-10-14-31(15-11-29)45-33-18-24-36(25-19-33)48(37-26-20-34(21-27-37)46-32-16-12-30(44)13-17-32)35-22-8-28(9-23-35)38-5-3-6-40-39-4-1-2-7-41(39)47-42(38)40/h1-27,45-47H,43-44H2
InChIKeyDIEKJSWWCRVCGT-UHFFFAOYSA-N
MW622.78 g/mol
LogP11.11
Rot. Bonds8

About 4-N-[4-[N-[4-(4-aminoanilino)phenyl]-4-(9H-carbazol-1-yl)anilino]phenyl]benzene-1,4-diamine

4-N-[4-[N-[4-(4-aminoanilino)phenyl]-4-(9H-carbazol-1-yl)anilino]phenyl]benzene-1,4-diamine (PubChem CID 175505714) has the molecular formula C42H34N6 and a molecular weight of 622.78 g/mol. Its IUPAC name is 4-N-[4-[N-[4-(4-aminoanilino)phenyl]-4-(9H-carbazol-1-yl)anilino]phenyl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[4-[N-[4-(4-aminoanilino)phenyl]-4-(9H-carbazol-1-yl)anilino]phenyl]benzene-1,4-diamine
PubChem CID175505714
Molecular FormulaC42H34N6
Molecular Weight622.78 g/mol
Exact Mass622.28
IUPAC Name4-N-[4-[N-[4-(4-aminoanilino)phenyl]-4-(9H-carbazol-1-yl)anilino]phenyl]benzene-1,4-diamine
SMILESNc1ccc(Nc2ccc(N(c3ccc(Nc4ccc(N)cc4)cc3)c3ccc(-c4cccc5c4[nH]c4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C42H34N6/c43-29-10-14-31(15-11-29)45-33-18-24-36(25-19-33)48(37-26-20-34(21-27-37)46-32-16-12-30(44)13-17-32)35-22-8-28(9-23-35)38-5-3-6-40-39-4-1-2-7-41(39)47-42(38)40/h1-27,45-47H,43-44H2
InChIKeyDIEKJSWWCRVCGT-UHFFFAOYSA-N
XLogP11.11
TPSA95.13 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.78
LogP ≤ 511.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(9H-carbazol-1-yl)-N,N-bis[4-(9H-carbazol-1-yl)phenyl]aniline
CID 141212248
1-[4-[4-[4-[4-(9H-carbazol-1-yl)phenyl]phenyl]phenyl]phenyl]-9H-carbazole
CID 175958773
3-(9H-carbazol-1-yl)aniline
CID 67501137
2-(9H-carbazol-1-yl)-N-[2-(9H-carbazol-1-yl)-6-phenylphenyl]-N,6-diphenylaniline
CID 166135032
4-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]benzene-1,4-diamine
CID 22013282
bis[4-(9H-carbazol-1-yl)phenyl]diazene
CID 140514298
1-[4-(2-bromophenyl)phenyl]-9H-carbazole
CID 175063939
7-(9H-carbazol-1-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine
CID 154697177
4-[4-[4-[4-(9H-carbazol-3-yl)phenyl]phenyl]phenyl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 153492707
1-[2-(9H-carbazol-1-yl)phenyl]-9H-carbazole
CID 66618059
1-[4-[1-[4-(9H-carbazol-1-yl)phenyl]-2,2-diphenylethenyl]phenyl]-9H-carbazole
CID 155666000
1-[4-[[4-(9H-carbazol-1-yl)phenyl]-diphenylmethyl]phenyl]-9H-carbazole
CID 141146048

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-[N-[4-(4-aminoanilino)phenyl]-4-(9H-carbazol-1-yl)anilino]phenyl]benzene-1,4-diamine?
The IUPAC name of 4-N-[4-[N-[4-(4-aminoanilino)phenyl]-4-(9H-carbazol-1-yl)anilino]phenyl]benzene-1,4-diamine (CID 175505714) is 4-N-[4-[N-[4-(4-aminoanilino)phenyl]-4-(9H-carbazol-1-yl)anilino]phenyl]benzene-1,4-diamine.
What is the SMILES notation for 4-N-[4-[N-[4-(4-aminoanilino)phenyl]-4-(9H-carbazol-1-yl)anilino]phenyl]benzene-1,4-diamine?
The canonical SMILES for 4-N-[4-[N-[4-(4-aminoanilino)phenyl]-4-(9H-carbazol-1-yl)anilino]phenyl]benzene-1,4-diamine is Nc1ccc(Nc2ccc(N(c3ccc(Nc4ccc(N)cc4)cc3)c3ccc(-c4cccc5c4[nH]c4ccccc45)cc3)cc2)cc1.
What is the InChIKey of 4-N-[4-[N-[4-(4-aminoanilino)phenyl]-4-(9H-carbazol-1-yl)anilino]phenyl]benzene-1,4-diamine?
The InChIKey is DIEKJSWWCRVCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H34N6/c43-29-10-14-31(15-11-29)45-33-18-24-36(25-19-33)48(37-26-20-34(21-27-37)46-32-16-12-30(44)13-17-32)35-22-8-28(9-23-35)38-5-3-6-40-39-4-1-2-7-41(39)47-42(38)40/h1-27,45-47H,43-44H2.
What are the key properties of 4-N-[4-[N-[4-(4-aminoanilino)phenyl]-4-(9H-carbazol-1-yl)anilino]phenyl]benzene-1,4-diamine?
4-N-[4-[N-[4-(4-aminoanilino)phenyl]-4-(9H-carbazol-1-yl)anilino]phenyl]benzene-1,4-diamine has a molecular weight of 622.78 g/mol, XLogP of 11.11, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-[N-[4-(4-aminoanilino)phenyl]-4-(9H-carbazol-1-yl)anilino]phenyl]benzene-1,4-diamine is sourced from PubChem (CID 175505714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).