12-phenyl-11-[4-(9-phenylcarbazol-2-yl)phenyl]phosphindolo[2,3-a]carbazole 12-oxide

C48H31N2OP — CID 121310510

IUPAC12-phenyl-11-[4-(9-phenylcarbazol-2-yl)phenyl]phosphindolo[2,3-a]carbazole 12-oxide
SMILESO=P1(c2ccccc2)c2ccccc2-c2ccc3c4ccccc4n(-c4ccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc4)c3c21
InChIInChI=1S/C48H31N2OP/c51-52(36-15-5-2-6-16-36)46-22-12-9-19-40(46)42-30-29-41-38-18-8-11-21-44(38)50(47(41)48(42)52)35-26-23-32(24-27-35)33-25-28-39-37-17-7-10-20-43(37)49(45(39)31-33)34-13-3-1-4-14-34/h1-31H
InChIKeyJPXMWBNBNUQIII-UHFFFAOYSA-N
MW682.76 g/mol
LogP11.17
Rot. Bonds4

About 12-phenyl-11-[4-(9-phenylcarbazol-2-yl)phenyl]phosphindolo[2,3-a]carbazole 12-oxide

12-phenyl-11-[4-(9-phenylcarbazol-2-yl)phenyl]phosphindolo[2,3-a]carbazole 12-oxide (PubChem CID 121310510) has the molecular formula C48H31N2OP and a molecular weight of 682.76 g/mol. Its IUPAC name is 12-phenyl-11-[4-(9-phenylcarbazol-2-yl)phenyl]phosphindolo[2,3-a]carbazole 12-oxide.

Molecular Properties

Compound Name12-phenyl-11-[4-(9-phenylcarbazol-2-yl)phenyl]phosphindolo[2,3-a]carbazole 12-oxide
PubChem CID121310510
Molecular FormulaC48H31N2OP
Molecular Weight682.76 g/mol
Exact Mass682.22
IUPAC Name12-phenyl-11-[4-(9-phenylcarbazol-2-yl)phenyl]phosphindolo[2,3-a]carbazole 12-oxide
SMILESO=P1(c2ccccc2)c2ccccc2-c2ccc3c4ccccc4n(-c4ccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc4)c3c21
InChIInChI=1S/C48H31N2OP/c51-52(36-15-5-2-6-16-36)46-22-12-9-19-40(46)42-30-29-41-38-18-8-11-21-44(38)50(47(41)48(42)52)35-26-23-32(24-27-35)33-25-28-39-37-17-7-10-20-43(37)49(45(39)31-33)34-13-3-1-4-14-34/h1-31H
InChIKeyJPXMWBNBNUQIII-UHFFFAOYSA-N
XLogP11.17
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.76
LogP ≤ 511.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

12-phenyl-11-(3-phenylphenyl)phosphindolo[2,3-a]carbazole 12-oxide
CID 121310386
12-phenyl-11-[4-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]phosphindolo[2,3-a]carbazole 12-oxide
CID 121310471
11-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-12-phenylphosphindolo[2,3-a]carbazole 12-oxide;11-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-12-phenylphosphindolo[2,3-a]carbazole 12-oxide;N-[4-[4-(12-oxo-12-phenylphosphindolo[2,3-a]carbazol-11-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 159948216
12-phenyl-5-(9-phenylcarbazol-2-yl)phosphindolo[3,2-c]carbazole 12-oxide
CID 121310614
5-phenyl-12-[4-(9-phenylcarbazol-3-yl)phenyl]phosphindolo[3,2-a]carbazole 5-oxide
CID 121310884
N-[4-[4-(12-oxo-12-phenylphosphindolo[2,3-a]carbazol-11-yl)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine
CID 121310517
11-[4-(9,9-dimethylfluoren-4-yl)phenyl]-12-phenylphosphindolo[2,3-a]carbazole 12-oxide
CID 121310437
12-phenyl-5-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]phosphindolo[3,2-c]carbazole 12-oxide
CID 121310656
5-[4-(4-naphthalen-2-ylphenyl)phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
CID 121310677
11-naphthalen-1-yl-12-phenylphosphindolo[2,3-a]carbazole 12-oxide
CID 121310385
N-[4-[4-(5-oxo-5-phenylphosphindolo[3,2-a]carbazol-12-yl)phenyl]phenyl]-N,9-diphenylcarbazol-2-amine
CID 121310892
5-[4-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide;5-[4-[4,6-bis(4-phenylphenyl)-2-pyridinyl]phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide;12-phenyl-5-[4-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]phosphindolo[3,2-c]carbazole 12-oxide
CID 161379261

Frequently Asked Questions

What is the IUPAC name of 12-phenyl-11-[4-(9-phenylcarbazol-2-yl)phenyl]phosphindolo[2,3-a]carbazole 12-oxide?
The IUPAC name of 12-phenyl-11-[4-(9-phenylcarbazol-2-yl)phenyl]phosphindolo[2,3-a]carbazole 12-oxide (CID 121310510) is 12-phenyl-11-[4-(9-phenylcarbazol-2-yl)phenyl]phosphindolo[2,3-a]carbazole 12-oxide.
What is the SMILES notation for 12-phenyl-11-[4-(9-phenylcarbazol-2-yl)phenyl]phosphindolo[2,3-a]carbazole 12-oxide?
The canonical SMILES for 12-phenyl-11-[4-(9-phenylcarbazol-2-yl)phenyl]phosphindolo[2,3-a]carbazole 12-oxide is O=P1(c2ccccc2)c2ccccc2-c2ccc3c4ccccc4n(-c4ccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc4)c3c21.
What is the InChIKey of 12-phenyl-11-[4-(9-phenylcarbazol-2-yl)phenyl]phosphindolo[2,3-a]carbazole 12-oxide?
The InChIKey is JPXMWBNBNUQIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N2OP/c51-52(36-15-5-2-6-16-36)46-22-12-9-19-40(46)42-30-29-41-38-18-8-11-21-44(38)50(47(41)48(42)52)35-26-23-32(24-27-35)33-25-28-39-37-17-7-10-20-43(37)49(45(39)31-33)34-13-3-1-4-14-34/h1-31H.
What are the key properties of 12-phenyl-11-[4-(9-phenylcarbazol-2-yl)phenyl]phosphindolo[2,3-a]carbazole 12-oxide?
12-phenyl-11-[4-(9-phenylcarbazol-2-yl)phenyl]phosphindolo[2,3-a]carbazole 12-oxide has a molecular weight of 682.76 g/mol, XLogP of 11.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-phenyl-11-[4-(9-phenylcarbazol-2-yl)phenyl]phosphindolo[2,3-a]carbazole 12-oxide is sourced from PubChem (CID 121310510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).