N-[4-[4-(5-oxo-5-phenylphosphindolo[3,2-a]carbazol-12-yl)phenyl]phenyl]-N,9-diphenylcarbazol-2-amine

C60H40N3OP — CID 121310892

IUPACN-[4-[4-(5-oxo-5-phenylphosphindolo[3,2-a]carbazol-12-yl)phenyl]phenyl]-N,9-diphenylcarbazol-2-amine
SMILESO=P1(c2ccccc2)c2ccccc2-c2c1ccc1c3ccccc3n(-c3ccc(-c4ccc(N(c5ccccc5)c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc4)cc3)c21
InChIInChI=1S/C60H40N3OP/c64-65(48-20-8-3-9-21-48)57-27-15-12-24-53(57)59-58(65)39-38-52-50-23-11-14-26-55(50)63(60(52)59)46-34-30-42(31-35-46)41-28-32-45(33-29-41)61(43-16-4-1-5-17-43)47-36-37-51-49-22-10-13-25-54(49)62(56(51)40-47)44-18-6-2-7-19-44/h1-40H
InChIKeyRXOZESWMUGXGFB-UHFFFAOYSA-N
MW849.97 g/mol
LogP14.64
Rot. Bonds7

About N-[4-[4-(5-oxo-5-phenylphosphindolo[3,2-a]carbazol-12-yl)phenyl]phenyl]-N,9-diphenylcarbazol-2-amine

N-[4-[4-(5-oxo-5-phenylphosphindolo[3,2-a]carbazol-12-yl)phenyl]phenyl]-N,9-diphenylcarbazol-2-amine (PubChem CID 121310892) has the molecular formula C60H40N3OP and a molecular weight of 849.97 g/mol. Its IUPAC name is N-[4-[4-(5-oxo-5-phenylphosphindolo[3,2-a]carbazol-12-yl)phenyl]phenyl]-N,9-diphenylcarbazol-2-amine.

Molecular Properties

Compound NameN-[4-[4-(5-oxo-5-phenylphosphindolo[3,2-a]carbazol-12-yl)phenyl]phenyl]-N,9-diphenylcarbazol-2-amine
PubChem CID121310892
Molecular FormulaC60H40N3OP
Molecular Weight849.97 g/mol
Exact Mass849.29
IUPAC NameN-[4-[4-(5-oxo-5-phenylphosphindolo[3,2-a]carbazol-12-yl)phenyl]phenyl]-N,9-diphenylcarbazol-2-amine
SMILESO=P1(c2ccccc2)c2ccccc2-c2c1ccc1c3ccccc3n(-c3ccc(-c4ccc(N(c5ccccc5)c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc4)cc3)c21
InChIInChI=1S/C60H40N3OP/c64-65(48-20-8-3-9-21-48)57-27-15-12-24-53(57)59-58(65)39-38-52-50-23-11-14-26-55(50)63(60(52)59)46-34-30-42(31-35-46)41-28-32-45(33-29-41)61(43-16-4-1-5-17-43)47-36-37-51-49-22-10-13-25-54(49)62(56(51)40-47)44-18-6-2-7-19-44/h1-40H
InChIKeyRXOZESWMUGXGFB-UHFFFAOYSA-N
XLogP14.64
TPSA30.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500849.97
LogP ≤ 514.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-phenyl-12-[4-(9-phenylcarbazol-3-yl)phenyl]phosphindolo[3,2-a]carbazole 5-oxide
CID 121310884
N-[4-[4-(11-oxo-11-phenylphosphindolo[3,2-b]carbazol-5-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 121310285
12-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-5-phenylphosphindolo[3,2-a]carbazole 5-oxide
CID 121310859
(5S)-12-(4-dibenzofuran-3-ylphenyl)-5-phenylphosphindolo[3,2-a]carbazole 5-oxide
CID 134444525
N-[4-[4-(11-oxo-11-phenylphosphindolo[3,2-b]carbazol-5-yl)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine
CID 121310330
N-[4-[4-(12-oxo-12-phenylphosphindolo[2,3-a]carbazol-11-yl)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine
CID 121310517
12-phenyl-11-[4-(9-phenylcarbazol-2-yl)phenyl]phosphindolo[2,3-a]carbazole 12-oxide
CID 121310510
12-(9,9-dimethyl-6-phenylfluoren-3-yl)-5-phenylphosphindolo[3,2-a]carbazole 5-oxide
CID 121310803
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
N-[4-(12-oxo-12-phenyl-22-aza-12λ5-phosphahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaen-22-yl)phenyl]-N,4-diphenylaniline;N-[4-(12-oxo-12-phenyl-22-aza-12λ5-phosphahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-22-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 157114460
9-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351084
9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351080

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(5-oxo-5-phenylphosphindolo[3,2-a]carbazol-12-yl)phenyl]phenyl]-N,9-diphenylcarbazol-2-amine?
The IUPAC name of N-[4-[4-(5-oxo-5-phenylphosphindolo[3,2-a]carbazol-12-yl)phenyl]phenyl]-N,9-diphenylcarbazol-2-amine (CID 121310892) is N-[4-[4-(5-oxo-5-phenylphosphindolo[3,2-a]carbazol-12-yl)phenyl]phenyl]-N,9-diphenylcarbazol-2-amine.
What is the SMILES notation for N-[4-[4-(5-oxo-5-phenylphosphindolo[3,2-a]carbazol-12-yl)phenyl]phenyl]-N,9-diphenylcarbazol-2-amine?
The canonical SMILES for N-[4-[4-(5-oxo-5-phenylphosphindolo[3,2-a]carbazol-12-yl)phenyl]phenyl]-N,9-diphenylcarbazol-2-amine is O=P1(c2ccccc2)c2ccccc2-c2c1ccc1c3ccccc3n(-c3ccc(-c4ccc(N(c5ccccc5)c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc4)cc3)c21.
What is the InChIKey of N-[4-[4-(5-oxo-5-phenylphosphindolo[3,2-a]carbazol-12-yl)phenyl]phenyl]-N,9-diphenylcarbazol-2-amine?
The InChIKey is RXOZESWMUGXGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N3OP/c64-65(48-20-8-3-9-21-48)57-27-15-12-24-53(57)59-58(65)39-38-52-50-23-11-14-26-55(50)63(60(52)59)46-34-30-42(31-35-46)41-28-32-45(33-29-41)61(43-16-4-1-5-17-43)47-36-37-51-49-22-10-13-25-54(49)62(56(51)40-47)44-18-6-2-7-19-44/h1-40H.
What are the key properties of N-[4-[4-(5-oxo-5-phenylphosphindolo[3,2-a]carbazol-12-yl)phenyl]phenyl]-N,9-diphenylcarbazol-2-amine?
N-[4-[4-(5-oxo-5-phenylphosphindolo[3,2-a]carbazol-12-yl)phenyl]phenyl]-N,9-diphenylcarbazol-2-amine has a molecular weight of 849.97 g/mol, XLogP of 14.64, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(5-oxo-5-phenylphosphindolo[3,2-a]carbazol-12-yl)phenyl]phenyl]-N,9-diphenylcarbazol-2-amine is sourced from PubChem (CID 121310892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).