4-[3-(N-[9-(4-methoxyphenyl)carbazol-3-yl]-4-phenylanilino)carbazol-9-yl]benzaldehyde

C50H35N3O2 — CID 126585558

IUPAC4-[3-(N-[9-(4-methoxyphenyl)carbazol-3-yl]-4-phenylanilino)carbazol-9-yl]benzaldehyde
SMILESCOc1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)c4ccccc4n5-c4ccc(C=O)cc4)ccc32)cc1
InChIInChI=1S/C50H35N3O2/c1-55-42-27-23-39(24-28-42)53-48-14-8-6-12-44(48)46-32-41(26-30-50(46)53)51(37-21-17-36(18-22-37)35-9-3-2-4-10-35)40-25-29-49-45(31-40)43-11-5-7-13-47(43)52(49)38-19-15-34(33-54)16-20-38/h2-33H,1H3
InChIKeyVOBVNYNBEBLBLS-UHFFFAOYSA-N
MW709.85 g/mol
LogP12.84
Rot. Bonds8

About 4-[3-(N-[9-(4-methoxyphenyl)carbazol-3-yl]-4-phenylanilino)carbazol-9-yl]benzaldehyde

4-[3-(N-[9-(4-methoxyphenyl)carbazol-3-yl]-4-phenylanilino)carbazol-9-yl]benzaldehyde (PubChem CID 126585558) has the molecular formula C50H35N3O2 and a molecular weight of 709.85 g/mol. Its IUPAC name is 4-[3-(N-[9-(4-methoxyphenyl)carbazol-3-yl]-4-phenylanilino)carbazol-9-yl]benzaldehyde.

Molecular Properties

Compound Name4-[3-(N-[9-(4-methoxyphenyl)carbazol-3-yl]-4-phenylanilino)carbazol-9-yl]benzaldehyde
PubChem CID126585558
Molecular FormulaC50H35N3O2
Molecular Weight709.85 g/mol
Exact Mass709.27
IUPAC Name4-[3-(N-[9-(4-methoxyphenyl)carbazol-3-yl]-4-phenylanilino)carbazol-9-yl]benzaldehyde
SMILESCOc1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)c4ccccc4n5-c4ccc(C=O)cc4)ccc32)cc1
InChIInChI=1S/C50H35N3O2/c1-55-42-27-23-39(24-28-42)53-48-14-8-6-12-44(48)46-32-41(26-30-50(46)53)51(37-21-17-36(18-22-37)35-9-3-2-4-10-35)40-25-29-49-45(31-40)43-11-5-7-13-47(43)52(49)38-19-15-34(33-54)16-20-38/h2-33H,1H3
InChIKeyVOBVNYNBEBLBLS-UHFFFAOYSA-N
XLogP12.84
TPSA39.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.85
LogP ≤ 512.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxyphenyl)-N-[4-[4-(4-methoxy-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-9-phenylcarbazol-3-amine
CID 58651978
9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 58651963
N-phenyl-9-(4-phenylphenyl)-N-[4-[2-[4-(N-[9-(4-phenylphenyl)carbazol-3-yl]anilino)phenyl]ethenyl]phenyl]carbazol-3-amine
CID 76557074
N,9-diphenyl-N-[9-[4-[4-[4-[3-(N-(9-phenylcarbazol-3-yl)anilino)carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazol-3-amine
CID 172537472
N-(4-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469
N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
CID 172537557
N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 159618005
N-(4-methoxyphenyl)-9-phenyl-N-(9-phenylcarbazol-3-yl)-6-triphenylgermylcarbazol-3-amine
CID 140704741
[4-[[6-(4-methoxy-N-(9-phenylcarbazol-3-yl)anilino)-9-phenylcarbazol-3-yl]-(9-phenylcarbazol-3-yl)amino]phenyl]methanol
CID 88866500
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(4-methoxyphenyl)phenyl]-4-(4-phenylphenyl)aniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-[4-(trifluoromethoxy)phenyl]phenyl]aniline
CID 160761682
N-(4-methylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 153303724
N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59469837

Frequently Asked Questions

What is the IUPAC name of 4-[3-(N-[9-(4-methoxyphenyl)carbazol-3-yl]-4-phenylanilino)carbazol-9-yl]benzaldehyde?
The IUPAC name of 4-[3-(N-[9-(4-methoxyphenyl)carbazol-3-yl]-4-phenylanilino)carbazol-9-yl]benzaldehyde (CID 126585558) is 4-[3-(N-[9-(4-methoxyphenyl)carbazol-3-yl]-4-phenylanilino)carbazol-9-yl]benzaldehyde.
What is the SMILES notation for 4-[3-(N-[9-(4-methoxyphenyl)carbazol-3-yl]-4-phenylanilino)carbazol-9-yl]benzaldehyde?
The canonical SMILES for 4-[3-(N-[9-(4-methoxyphenyl)carbazol-3-yl]-4-phenylanilino)carbazol-9-yl]benzaldehyde is COc1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)c4ccccc4n5-c4ccc(C=O)cc4)ccc32)cc1.
What is the InChIKey of 4-[3-(N-[9-(4-methoxyphenyl)carbazol-3-yl]-4-phenylanilino)carbazol-9-yl]benzaldehyde?
The InChIKey is VOBVNYNBEBLBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35N3O2/c1-55-42-27-23-39(24-28-42)53-48-14-8-6-12-44(48)46-32-41(26-30-50(46)53)51(37-21-17-36(18-22-37)35-9-3-2-4-10-35)40-25-29-49-45(31-40)43-11-5-7-13-47(43)52(49)38-19-15-34(33-54)16-20-38/h2-33H,1H3.
What are the key properties of 4-[3-(N-[9-(4-methoxyphenyl)carbazol-3-yl]-4-phenylanilino)carbazol-9-yl]benzaldehyde?
4-[3-(N-[9-(4-methoxyphenyl)carbazol-3-yl]-4-phenylanilino)carbazol-9-yl]benzaldehyde has a molecular weight of 709.85 g/mol, XLogP of 12.84, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(N-[9-(4-methoxyphenyl)carbazol-3-yl]-4-phenylanilino)carbazol-9-yl]benzaldehyde is sourced from PubChem (CID 126585558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).