2-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]carbazol-9-yl]-6H-benzo[c]chromene-9-carbonitrile

C56H37N3O — CID 163660063

IUPAC2-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]carbazol-9-yl]-6H-benzo[c]chromene-9-carbonitrile
SMILESN#Cc1ccc2c(c1)-c1cc(-n3c4ccccc4c4cc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)cc5)ccc43)ccc1OC2
InChIInChI=1S/C56H37N3O/c57-36-38-15-16-45-37-60-56-32-30-49(35-53(56)51(45)33-38)59-54-14-8-7-13-50(54)52-34-44(23-31-55(52)59)43-21-28-48(29-22-43)58(46-24-17-41(18-25-46)39-9-3-1-4-10-39)47-26-19-42(20-27-47)40-11-5-2-6-12-40/h1-35H,37H2
InChIKeyITQGNSSWJNVVTN-UHFFFAOYSA-N
MW767.93 g/mol
LogP14.69
Rot. Bonds7

About 2-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]carbazol-9-yl]-6H-benzo[c]chromene-9-carbonitrile

2-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]carbazol-9-yl]-6H-benzo[c]chromene-9-carbonitrile (PubChem CID 163660063) has the molecular formula C56H37N3O and a molecular weight of 767.93 g/mol. Its IUPAC name is 2-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]carbazol-9-yl]-6H-benzo[c]chromene-9-carbonitrile.

Molecular Properties

Compound Name2-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]carbazol-9-yl]-6H-benzo[c]chromene-9-carbonitrile
PubChem CID163660063
Molecular FormulaC56H37N3O
Molecular Weight767.93 g/mol
Exact Mass767.29
IUPAC Name2-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]carbazol-9-yl]-6H-benzo[c]chromene-9-carbonitrile
SMILESN#Cc1ccc2c(c1)-c1cc(-n3c4ccccc4c4cc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)cc5)ccc43)ccc1OC2
InChIInChI=1S/C56H37N3O/c57-36-38-15-16-45-37-60-56-32-30-49(35-53(56)51(45)33-38)59-54-14-8-7-13-50(54)52-34-44(23-31-55(52)59)43-21-28-48(29-22-43)58(46-24-17-41(18-25-46)39-9-3-1-4-10-39)47-26-19-42(20-27-47)40-11-5-2-6-12-40/h1-35H,37H2
InChIKeyITQGNSSWJNVVTN-UHFFFAOYSA-N
XLogP14.69
TPSA41.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.93
LogP ≤ 514.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]carbazol-9-yl]-6H-benzo[c]chromene-9-carbonitrile?
The IUPAC name of 2-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]carbazol-9-yl]-6H-benzo[c]chromene-9-carbonitrile (CID 163660063) is 2-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]carbazol-9-yl]-6H-benzo[c]chromene-9-carbonitrile.
What is the SMILES notation for 2-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]carbazol-9-yl]-6H-benzo[c]chromene-9-carbonitrile?
The canonical SMILES for 2-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]carbazol-9-yl]-6H-benzo[c]chromene-9-carbonitrile is N#Cc1ccc2c(c1)-c1cc(-n3c4ccccc4c4cc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)cc5)ccc43)ccc1OC2.
What is the InChIKey of 2-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]carbazol-9-yl]-6H-benzo[c]chromene-9-carbonitrile?
The InChIKey is ITQGNSSWJNVVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37N3O/c57-36-38-15-16-45-37-60-56-32-30-49(35-53(56)51(45)33-38)59-54-14-8-7-13-50(54)52-34-44(23-31-55(52)59)43-21-28-48(29-22-43)58(46-24-17-41(18-25-46)39-9-3-1-4-10-39)47-26-19-42(20-27-47)40-11-5-2-6-12-40/h1-35H,37H2.
What are the key properties of 2-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]carbazol-9-yl]-6H-benzo[c]chromene-9-carbonitrile?
2-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]carbazol-9-yl]-6H-benzo[c]chromene-9-carbonitrile has a molecular weight of 767.93 g/mol, XLogP of 14.69, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]carbazol-9-yl]-6H-benzo[c]chromene-9-carbonitrile is sourced from PubChem (CID 163660063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).