12-phenyl-5-(9-phenylcarbazol-2-yl)phosphindolo[3,2-c]carbazole 12-oxide

C42H27N2OP — CID 121310614

IUPAC12-phenyl-5-(9-phenylcarbazol-2-yl)phosphindolo[3,2-c]carbazole 12-oxide
SMILESO=P1(c2ccccc2)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1ccc2c3ccccc3n(-c3ccccc3)c2c1
InChIInChI=1S/C42H27N2OP/c45-46(30-15-5-2-6-16-30)40-22-12-9-18-33(40)34-25-26-38-41(42(34)46)35-19-8-11-21-37(35)44(38)29-23-24-32-31-17-7-10-20-36(31)43(39(32)27-29)28-13-3-1-4-14-28/h1-27H
InChIKeyYAHRLRKRTFZWJJ-UHFFFAOYSA-N
MW606.67 g/mol
LogP9.50
Rot. Bonds3

About 12-phenyl-5-(9-phenylcarbazol-2-yl)phosphindolo[3,2-c]carbazole 12-oxide

12-phenyl-5-(9-phenylcarbazol-2-yl)phosphindolo[3,2-c]carbazole 12-oxide (PubChem CID 121310614) has the molecular formula C42H27N2OP and a molecular weight of 606.67 g/mol. Its IUPAC name is 12-phenyl-5-(9-phenylcarbazol-2-yl)phosphindolo[3,2-c]carbazole 12-oxide.

Molecular Properties

Compound Name12-phenyl-5-(9-phenylcarbazol-2-yl)phosphindolo[3,2-c]carbazole 12-oxide
PubChem CID121310614
Molecular FormulaC42H27N2OP
Molecular Weight606.67 g/mol
Exact Mass606.19
IUPAC Name12-phenyl-5-(9-phenylcarbazol-2-yl)phosphindolo[3,2-c]carbazole 12-oxide
SMILESO=P1(c2ccccc2)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1ccc2c3ccccc3n(-c3ccccc3)c2c1
InChIInChI=1S/C42H27N2OP/c45-46(30-15-5-2-6-16-30)40-22-12-9-18-33(40)34-25-26-38-41(42(34)46)35-19-8-11-21-37(35)44(38)29-23-24-32-31-17-7-10-20-36(31)43(39(32)27-29)28-13-3-1-4-14-28/h1-27H
InChIKeyYAHRLRKRTFZWJJ-UHFFFAOYSA-N
XLogP9.50
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.67
LogP ≤ 59.50
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-5-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]phosphindolo[3,2-c]carbazole 12-oxide
CID 121310656
5-chrysen-3-yl-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
CID 121310710
5-(3,5-diphenylphenyl)-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
CID 121310570
3-(12-oxo-12-phenylphosphindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 121310641
5-[4-(4-naphthalen-2-ylphenyl)phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
CID 121310677
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
12-phenyl-11-[4-(9-phenylcarbazol-2-yl)phenyl]phosphindolo[2,3-a]carbazole 12-oxide
CID 121310510
N-naphthalen-2-yl-N-[4-[4-(12-oxo-12-phenylphosphindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]naphthalen-2-amine
CID 121310702
5-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
CID 121310611
5-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
CID 121310688
5-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
CID 121310631
5-(9,10-dinaphthalen-1-ylanthracen-2-yl)-12-phenylphosphindolo[3,2-c]carbazole 12-oxide;5-(9,10-diphenylanthracen-2-yl)-12-phenylphosphindolo[3,2-c]carbazole 12-oxide;5-(10-naphthalen-2-ylanthracen-9-yl)-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
CID 157412399

Frequently Asked Questions

What is the IUPAC name of 12-phenyl-5-(9-phenylcarbazol-2-yl)phosphindolo[3,2-c]carbazole 12-oxide?
The IUPAC name of 12-phenyl-5-(9-phenylcarbazol-2-yl)phosphindolo[3,2-c]carbazole 12-oxide (CID 121310614) is 12-phenyl-5-(9-phenylcarbazol-2-yl)phosphindolo[3,2-c]carbazole 12-oxide.
What is the SMILES notation for 12-phenyl-5-(9-phenylcarbazol-2-yl)phosphindolo[3,2-c]carbazole 12-oxide?
The canonical SMILES for 12-phenyl-5-(9-phenylcarbazol-2-yl)phosphindolo[3,2-c]carbazole 12-oxide is O=P1(c2ccccc2)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1ccc2c3ccccc3n(-c3ccccc3)c2c1.
What is the InChIKey of 12-phenyl-5-(9-phenylcarbazol-2-yl)phosphindolo[3,2-c]carbazole 12-oxide?
The InChIKey is YAHRLRKRTFZWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N2OP/c45-46(30-15-5-2-6-16-30)40-22-12-9-18-33(40)34-25-26-38-41(42(34)46)35-19-8-11-21-37(35)44(38)29-23-24-32-31-17-7-10-20-36(31)43(39(32)27-29)28-13-3-1-4-14-28/h1-27H.
What are the key properties of 12-phenyl-5-(9-phenylcarbazol-2-yl)phosphindolo[3,2-c]carbazole 12-oxide?
12-phenyl-5-(9-phenylcarbazol-2-yl)phosphindolo[3,2-c]carbazole 12-oxide has a molecular weight of 606.67 g/mol, XLogP of 9.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-phenyl-5-(9-phenylcarbazol-2-yl)phosphindolo[3,2-c]carbazole 12-oxide is sourced from PubChem (CID 121310614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).