5-phenyl-12-[4-(9-phenylcarbazol-3-yl)phenyl]phosphindolo[3,2-a]carbazole 5-oxide

C48H31N2OP — CID 121310884

IUPAC5-phenyl-12-[4-(9-phenylcarbazol-3-yl)phenyl]phosphindolo[3,2-a]carbazole 5-oxide
SMILESO=P1(c2ccccc2)c2ccccc2-c2c1ccc1c3ccccc3n(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c21
InChIInChI=1S/C48H31N2OP/c51-52(36-15-5-2-6-16-36)45-22-12-9-19-40(45)47-46(52)30-28-39-37-17-7-11-21-43(37)50(48(39)47)35-26-23-32(24-27-35)33-25-29-44-41(31-33)38-18-8-10-20-42(38)49(44)34-13-3-1-4-14-34/h1-31H
InChIKeyVIPQHJZJFRKCAW-UHFFFAOYSA-N
MW682.76 g/mol
LogP11.17
Rot. Bonds4

About 5-phenyl-12-[4-(9-phenylcarbazol-3-yl)phenyl]phosphindolo[3,2-a]carbazole 5-oxide

5-phenyl-12-[4-(9-phenylcarbazol-3-yl)phenyl]phosphindolo[3,2-a]carbazole 5-oxide (PubChem CID 121310884) has the molecular formula C48H31N2OP and a molecular weight of 682.76 g/mol. Its IUPAC name is 5-phenyl-12-[4-(9-phenylcarbazol-3-yl)phenyl]phosphindolo[3,2-a]carbazole 5-oxide.

Molecular Properties

Compound Name5-phenyl-12-[4-(9-phenylcarbazol-3-yl)phenyl]phosphindolo[3,2-a]carbazole 5-oxide
PubChem CID121310884
Molecular FormulaC48H31N2OP
Molecular Weight682.76 g/mol
Exact Mass682.22
IUPAC Name5-phenyl-12-[4-(9-phenylcarbazol-3-yl)phenyl]phosphindolo[3,2-a]carbazole 5-oxide
SMILESO=P1(c2ccccc2)c2ccccc2-c2c1ccc1c3ccccc3n(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c21
InChIInChI=1S/C48H31N2OP/c51-52(36-15-5-2-6-16-36)45-22-12-9-19-40(45)47-46(52)30-28-39-37-17-7-11-21-43(37)50(48(39)47)35-26-23-32(24-27-35)33-25-29-44-41(31-33)38-18-8-10-20-42(38)49(44)34-13-3-1-4-14-34/h1-31H
InChIKeyVIPQHJZJFRKCAW-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

N-[4-[4-(5-oxo-5-phenylphosphindolo[3,2-a]carbazol-12-yl)phenyl]phenyl]-N,9-diphenylcarbazol-2-amine
CID 121310892
(5S)-12-(4-dibenzofuran-3-ylphenyl)-5-phenylphosphindolo[3,2-a]carbazole 5-oxide
CID 134444525
12-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-5-phenylphosphindolo[3,2-a]carbazole 5-oxide
CID 121310859
12-(9,9-dimethyl-6-phenylfluoren-3-yl)-5-phenylphosphindolo[3,2-a]carbazole 5-oxide
CID 121310803
12-phenyl-11-[4-(9-phenylcarbazol-2-yl)phenyl]phosphindolo[2,3-a]carbazole 12-oxide
CID 121310510
14-phenyl-3-(3-phenylphenyl)-3-aza-14λ5-phosphahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene 14-oxide
CID 121310905
5-phenyl-12-[4-(4-phenylphenyl)quinazolin-2-yl]phosphindolo[3,2-a]carbazole 5-oxide
CID 121310791
3-isocyano-5-(5-oxo-5-phenylphosphindolo[3,2-a]carbazol-12-yl)benzonitrile
CID 140713869
12-phenyl-11-(3-phenylphenyl)phosphindolo[2,3-a]carbazole 12-oxide
CID 121310386
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
5'-phenyl-2'-(9-phenylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine] 5'-oxide
CID 135140078

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-12-[4-(9-phenylcarbazol-3-yl)phenyl]phosphindolo[3,2-a]carbazole 5-oxide?
The IUPAC name of 5-phenyl-12-[4-(9-phenylcarbazol-3-yl)phenyl]phosphindolo[3,2-a]carbazole 5-oxide (CID 121310884) is 5-phenyl-12-[4-(9-phenylcarbazol-3-yl)phenyl]phosphindolo[3,2-a]carbazole 5-oxide.
What is the SMILES notation for 5-phenyl-12-[4-(9-phenylcarbazol-3-yl)phenyl]phosphindolo[3,2-a]carbazole 5-oxide?
The canonical SMILES for 5-phenyl-12-[4-(9-phenylcarbazol-3-yl)phenyl]phosphindolo[3,2-a]carbazole 5-oxide is O=P1(c2ccccc2)c2ccccc2-c2c1ccc1c3ccccc3n(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c21.
What is the InChIKey of 5-phenyl-12-[4-(9-phenylcarbazol-3-yl)phenyl]phosphindolo[3,2-a]carbazole 5-oxide?
The InChIKey is VIPQHJZJFRKCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N2OP/c51-52(36-15-5-2-6-16-36)45-22-12-9-19-40(45)47-46(52)30-28-39-37-17-7-11-21-43(37)50(48(39)47)35-26-23-32(24-27-35)33-25-29-44-41(31-33)38-18-8-10-20-42(38)49(44)34-13-3-1-4-14-34/h1-31H.
What are the key properties of 5-phenyl-12-[4-(9-phenylcarbazol-3-yl)phenyl]phosphindolo[3,2-a]carbazole 5-oxide?
5-phenyl-12-[4-(9-phenylcarbazol-3-yl)phenyl]phosphindolo[3,2-a]carbazole 5-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 5-phenyl-12-[4-(9-phenylcarbazol-3-yl)phenyl]phosphindolo[3,2-a]carbazole 5-oxide is sourced from PubChem (CID 121310884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).