5-[4-(4-naphthalen-2-ylphenyl)phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide

C46H30NOP — CID 121310677

IUPAC5-[4-(4-naphthalen-2-ylphenyl)phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
SMILESO=P1(c2ccccc2)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1ccc(-c2ccc(-c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C46H30NOP/c48-49(38-12-2-1-3-13-38)44-17-9-7-14-39(44)40-28-29-43-45(46(40)49)41-15-6-8-16-42(41)47(43)37-26-24-33(25-27-37)32-18-20-34(21-19-32)36-23-22-31-10-4-5-11-35(31)30-36/h1-30H
InChIKeyKPJKPGMSPCTQAH-UHFFFAOYSA-N
MW643.73 g/mol
LogP10.89
Rot. Bonds4

About 5-[4-(4-naphthalen-2-ylphenyl)phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide

5-[4-(4-naphthalen-2-ylphenyl)phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide (PubChem CID 121310677) has the molecular formula C46H30NOP and a molecular weight of 643.73 g/mol. Its IUPAC name is 5-[4-(4-naphthalen-2-ylphenyl)phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide.

Molecular Properties

Compound Name5-[4-(4-naphthalen-2-ylphenyl)phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
PubChem CID121310677
Molecular FormulaC46H30NOP
Molecular Weight643.73 g/mol
Exact Mass643.21
IUPAC Name5-[4-(4-naphthalen-2-ylphenyl)phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
SMILESO=P1(c2ccccc2)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1ccc(-c2ccc(-c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C46H30NOP/c48-49(38-12-2-1-3-13-38)44-17-9-7-14-39(44)40-28-29-43-45(46(40)49)41-15-6-8-16-42(41)47(43)37-26-24-33(25-27-37)32-18-20-34(21-19-32)36-23-22-31-10-4-5-11-35(31)30-36/h1-30H
InChIKeyKPJKPGMSPCTQAH-UHFFFAOYSA-N
XLogP10.89
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.73
LogP ≤ 510.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
CID 121310688
N-naphthalen-2-yl-N-[4-[4-(12-oxo-12-phenylphosphindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]naphthalen-2-amine
CID 121310702
12-phenyl-5-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]phosphindolo[3,2-c]carbazole 12-oxide
CID 121310656
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
5-chrysen-3-yl-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
CID 121310710
5-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
CID 121310631
5-(3,5-diphenylphenyl)-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
CID 121310570
12-phenyl-5-(9-phenylcarbazol-2-yl)phosphindolo[3,2-c]carbazole 12-oxide
CID 121310614
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
9-[3,5-bis(4-phenylphenyl)phenyl]-24-phenyl-9-aza-24λ5-phosphahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene 24-oxide
CID 121310717
5-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
CID 121310611
5-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
CID 121310584

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-naphthalen-2-ylphenyl)phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide?
The IUPAC name of 5-[4-(4-naphthalen-2-ylphenyl)phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide (CID 121310677) is 5-[4-(4-naphthalen-2-ylphenyl)phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide.
What is the SMILES notation for 5-[4-(4-naphthalen-2-ylphenyl)phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide?
The canonical SMILES for 5-[4-(4-naphthalen-2-ylphenyl)phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide is O=P1(c2ccccc2)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1ccc(-c2ccc(-c3ccc4ccccc4c3)cc2)cc1.
What is the InChIKey of 5-[4-(4-naphthalen-2-ylphenyl)phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide?
The InChIKey is KPJKPGMSPCTQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30NOP/c48-49(38-12-2-1-3-13-38)44-17-9-7-14-39(44)40-28-29-43-45(46(40)49)41-15-6-8-16-42(41)47(43)37-26-24-33(25-27-37)32-18-20-34(21-19-32)36-23-22-31-10-4-5-11-35(31)30-36/h1-30H.
What are the key properties of 5-[4-(4-naphthalen-2-ylphenyl)phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide?
5-[4-(4-naphthalen-2-ylphenyl)phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide has a molecular weight of 643.73 g/mol, XLogP of 10.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-naphthalen-2-ylphenyl)phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide is sourced from PubChem (CID 121310677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).