N-[4-[4-(12-oxo-12-phenylphosphindolo[2,3-a]carbazol-11-yl)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine

C54H35N2OPS — CID 121310517

IUPACN-[4-[4-(12-oxo-12-phenylphosphindolo[2,3-a]carbazol-11-yl)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine
SMILESO=P1(c2ccccc2)c2ccccc2-c2ccc3c4ccccc4n(-c4ccc(-c5ccc(N(c6ccccc6)c6ccc7c(c6)sc6ccccc67)cc5)cc4)c3c21
InChIInChI=1S/C54H35N2OPS/c57-58(42-15-5-2-6-16-42)50-21-11-8-18-44(50)48-34-33-47-43-17-7-10-20-49(43)56(53(47)54(48)58)40-29-25-37(26-30-40)36-23-27-39(28-24-36)55(38-13-3-1-4-14-38)41-31-32-46-45-19-9-12-22-51(45)59-52(46)35-41/h1-35H
InChIKeyLPLFKZVTEFLNDT-UHFFFAOYSA-N
MW790.93 g/mol
LogP13.91
Rot. Bonds6

About N-[4-[4-(12-oxo-12-phenylphosphindolo[2,3-a]carbazol-11-yl)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine

N-[4-[4-(12-oxo-12-phenylphosphindolo[2,3-a]carbazol-11-yl)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine (PubChem CID 121310517) has the molecular formula C54H35N2OPS and a molecular weight of 790.93 g/mol. Its IUPAC name is N-[4-[4-(12-oxo-12-phenylphosphindolo[2,3-a]carbazol-11-yl)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine.

Molecular Properties

Compound NameN-[4-[4-(12-oxo-12-phenylphosphindolo[2,3-a]carbazol-11-yl)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine
PubChem CID121310517
Molecular FormulaC54H35N2OPS
Molecular Weight790.93 g/mol
Exact Mass790.22
IUPAC NameN-[4-[4-(12-oxo-12-phenylphosphindolo[2,3-a]carbazol-11-yl)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine
SMILESO=P1(c2ccccc2)c2ccccc2-c2ccc3c4ccccc4n(-c4ccc(-c5ccc(N(c6ccccc6)c6ccc7c(c6)sc6ccccc67)cc5)cc4)c3c21
InChIInChI=1S/C54H35N2OPS/c57-58(42-15-5-2-6-16-42)50-21-11-8-18-44(50)48-34-33-47-43-17-7-10-20-49(43)56(53(47)54(48)58)40-29-25-37(26-30-40)36-23-27-39(28-24-36)55(38-13-3-1-4-14-38)41-31-32-46-45-19-9-12-22-51(45)59-52(46)35-41/h1-35H
InChIKeyLPLFKZVTEFLNDT-UHFFFAOYSA-N
XLogP13.91
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.93
LogP ≤ 513.91
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

N-[4-[4-(11-oxo-11-phenylphosphindolo[3,2-b]carbazol-5-yl)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine
CID 121310330
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-[4-(5-oxo-5-phenylphosphindolo[3,2-a]carbazol-12-yl)phenyl]phenyl]-N,9-diphenylcarbazol-2-amine
CID 121310892
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 155396635
N-naphthalen-2-yl-N-[4-[4-(12-oxo-12-phenylphosphindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]naphthalen-2-amine
CID 121310702
N-[4-[4-(11-oxo-11-phenylphosphindolo[3,2-b]carbazol-5-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 121310285
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine
CID 170379955
7-carbazol-9-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine
CID 90372077
N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 129085131
11-[4-(9,9-dimethylfluoren-4-yl)phenyl]-12-phenylphosphindolo[2,3-a]carbazole 12-oxide
CID 121310437
3-N-dibenzothiophen-3-yl-1-N-phenyl-3-N-[3-(9-phenylcarbazol-2-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 158726355
N-dibenzothiophen-3-yl-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-3-amine
CID 166847791

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(12-oxo-12-phenylphosphindolo[2,3-a]carbazol-11-yl)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine?
The IUPAC name of N-[4-[4-(12-oxo-12-phenylphosphindolo[2,3-a]carbazol-11-yl)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine (CID 121310517) is N-[4-[4-(12-oxo-12-phenylphosphindolo[2,3-a]carbazol-11-yl)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine.
What is the SMILES notation for N-[4-[4-(12-oxo-12-phenylphosphindolo[2,3-a]carbazol-11-yl)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine?
The canonical SMILES for N-[4-[4-(12-oxo-12-phenylphosphindolo[2,3-a]carbazol-11-yl)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine is O=P1(c2ccccc2)c2ccccc2-c2ccc3c4ccccc4n(-c4ccc(-c5ccc(N(c6ccccc6)c6ccc7c(c6)sc6ccccc67)cc5)cc4)c3c21.
What is the InChIKey of N-[4-[4-(12-oxo-12-phenylphosphindolo[2,3-a]carbazol-11-yl)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine?
The InChIKey is LPLFKZVTEFLNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N2OPS/c57-58(42-15-5-2-6-16-42)50-21-11-8-18-44(50)48-34-33-47-43-17-7-10-20-49(43)56(53(47)54(48)58)40-29-25-37(26-30-40)36-23-27-39(28-24-36)55(38-13-3-1-4-14-38)41-31-32-46-45-19-9-12-22-51(45)59-52(46)35-41/h1-35H.
What are the key properties of N-[4-[4-(12-oxo-12-phenylphosphindolo[2,3-a]carbazol-11-yl)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine?
N-[4-[4-(12-oxo-12-phenylphosphindolo[2,3-a]carbazol-11-yl)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine has a molecular weight of 790.93 g/mol, XLogP of 13.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(12-oxo-12-phenylphosphindolo[2,3-a]carbazol-11-yl)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine is sourced from PubChem (CID 121310517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).