11-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]indeno[2,1-a]carbazol-12-one

C49H32N2O — CID 118331869

IUPAC11-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]indeno[2,1-a]carbazol-12-one
SMILESO=C1c2ccccc2-c2ccc3c4ccccc4n(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)c3c21
InChIInChI=1S/C49H32N2O/c52-49-45-17-8-7-15-41(45)43-31-32-44-42-16-9-10-18-46(42)51(48(44)47(43)49)40-29-27-39(28-30-40)50(37-23-19-35(20-24-37)33-11-3-1-4-12-33)38-25-21-36(22-26-38)34-13-5-2-6-14-34/h1-32H
InChIKeyPMSPATYMBOBHQA-UHFFFAOYSA-N
MW664.81 g/mol
LogP12.80
Rot. Bonds6

About 11-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]indeno[2,1-a]carbazol-12-one

11-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]indeno[2,1-a]carbazol-12-one (PubChem CID 118331869) has the molecular formula C49H32N2O and a molecular weight of 664.81 g/mol. Its IUPAC name is 11-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]indeno[2,1-a]carbazol-12-one.

Molecular Properties

Compound Name11-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]indeno[2,1-a]carbazol-12-one
PubChem CID118331869
Molecular FormulaC49H32N2O
Molecular Weight664.81 g/mol
Exact Mass664.25
IUPAC Name11-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]indeno[2,1-a]carbazol-12-one
SMILESO=C1c2ccccc2-c2ccc3c4ccccc4n(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)c3c21
InChIInChI=1S/C49H32N2O/c52-49-45-17-8-7-15-41(45)43-31-32-44-42-16-9-10-18-46(42)51(48(44)47(43)49)40-29-27-39(28-30-40)50(37-23-19-35(20-24-37)33-11-3-1-4-12-33)38-25-21-36(22-26-38)34-13-5-2-6-14-34/h1-32H
InChIKeyPMSPATYMBOBHQA-UHFFFAOYSA-N
XLogP12.80
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.81
LogP ≤ 512.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-N-(4-phenylphenyl)-N-[4-[6-(4-phenylphenyl)benzo[b]carbazol-5-yl]phenyl]aniline
CID 134552398
N,4-diphenyl-N-[4-[5-(4-phenylphenyl)indolo[3,2-c]carbazol-12-yl]phenyl]aniline
CID 145273269
N-[4-[4-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 156545419
4-(4-phenylphenyl)-4-azahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaene
CID 118564873
N-(4-bromophenyl)-4-phenyl-N-(4-phenylphenyl)aniline;methane;4-phenyl-N-[4-(1-phenylcarbazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 158576235
N,4-bis(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 90296019
4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 160833805
N-(4-carbazol-9-ylphenyl)-N-[4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-4-phenylaniline
CID 66585182
N,4-bis(4-carbazol-9-ylphenyl)-N-[4-(4-carbazol-9-ylphenyl)phenyl]aniline
CID 20608008
4-phenyl-N-[4-[4-(2-phenylcarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121312854
4-(4-carbazol-9-ylphenyl)-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline
CID 175169513
N-(4-carbazol-9-ylphenyl)-4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]-N-phenylaniline
CID 176611462

Frequently Asked Questions

What is the IUPAC name of 11-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]indeno[2,1-a]carbazol-12-one?
The IUPAC name of 11-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]indeno[2,1-a]carbazol-12-one (CID 118331869) is 11-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]indeno[2,1-a]carbazol-12-one.
What is the SMILES notation for 11-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]indeno[2,1-a]carbazol-12-one?
The canonical SMILES for 11-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]indeno[2,1-a]carbazol-12-one is O=C1c2ccccc2-c2ccc3c4ccccc4n(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)c3c21.
What is the InChIKey of 11-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]indeno[2,1-a]carbazol-12-one?
The InChIKey is PMSPATYMBOBHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N2O/c52-49-45-17-8-7-15-41(45)43-31-32-44-42-16-9-10-18-46(42)51(48(44)47(43)49)40-29-27-39(28-30-40)50(37-23-19-35(20-24-37)33-11-3-1-4-12-33)38-25-21-36(22-26-38)34-13-5-2-6-14-34/h1-32H.
What are the key properties of 11-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]indeno[2,1-a]carbazol-12-one?
11-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]indeno[2,1-a]carbazol-12-one has a molecular weight of 664.81 g/mol, XLogP of 12.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]indeno[2,1-a]carbazol-12-one is sourced from PubChem (CID 118331869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).