11-(1,10-phenanthrolin-3-yl)-12-phenylphosphindolo[2,3-a]carbazole 12-oxide

C36H22N3OP — CID 121310442

IUPAC11-(1,10-phenanthrolin-3-yl)-12-phenylphosphindolo[2,3-a]carbazole 12-oxide
SMILESO=P1(c2ccccc2)c2ccccc2-c2ccc3c4ccccc4n(-c4cnc5c(ccc6cccnc65)c4)c3c21
InChIInChI=1S/C36H22N3OP/c40-41(26-10-2-1-3-11-26)32-15-7-5-13-28(32)30-19-18-29-27-12-4-6-14-31(27)39(35(29)36(30)41)25-21-24-17-16-23-9-8-20-37-33(23)34(24)38-22-25/h1-22H
InChIKeyQPXSNVKVEUOUEK-UHFFFAOYSA-N
MW543.57 g/mol
LogP7.50
Rot. Bonds2

About 11-(1,10-phenanthrolin-3-yl)-12-phenylphosphindolo[2,3-a]carbazole 12-oxide

11-(1,10-phenanthrolin-3-yl)-12-phenylphosphindolo[2,3-a]carbazole 12-oxide (PubChem CID 121310442) has the molecular formula C36H22N3OP and a molecular weight of 543.57 g/mol. Its IUPAC name is 11-(1,10-phenanthrolin-3-yl)-12-phenylphosphindolo[2,3-a]carbazole 12-oxide.

Molecular Properties

Compound Name11-(1,10-phenanthrolin-3-yl)-12-phenylphosphindolo[2,3-a]carbazole 12-oxide
PubChem CID121310442
Molecular FormulaC36H22N3OP
Molecular Weight543.57 g/mol
Exact Mass543.15
IUPAC Name11-(1,10-phenanthrolin-3-yl)-12-phenylphosphindolo[2,3-a]carbazole 12-oxide
SMILESO=P1(c2ccccc2)c2ccccc2-c2ccc3c4ccccc4n(-c4cnc5c(ccc6cccnc65)c4)c3c21
InChIInChI=1S/C36H22N3OP/c40-41(26-10-2-1-3-11-26)32-15-7-5-13-28(32)30-19-18-29-27-12-4-6-14-31(27)39(35(29)36(30)41)25-21-24-17-16-23-9-8-20-37-33(23)34(24)38-22-25/h1-22H
InChIKeyQPXSNVKVEUOUEK-UHFFFAOYSA-N
XLogP7.50
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.57
LogP ≤ 57.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

12-(1,10-phenanthrolin-3-yl)-11-phenylindolo[2,3-a]carbazole
CID 118501870
11-naphthalen-1-yl-12-phenylphosphindolo[2,3-a]carbazole 12-oxide
CID 121310385
12-phenyl-11-(3-phenylphenyl)phosphindolo[2,3-a]carbazole 12-oxide
CID 121310386
12-phenyl-11-[4-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]phosphindolo[2,3-a]carbazole 12-oxide
CID 121310471
12-phenyl-11-[4-(9-phenylcarbazol-2-yl)phenyl]phosphindolo[2,3-a]carbazole 12-oxide
CID 121310510
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
11-phenyl-5-quinolin-8-ylphosphindolo[3,2-b]carbazole 11-oxide
CID 121310218
12-phenyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]phosphindolo[2,3-a]carbazole 12-oxide
CID 121310411
3-naphthalen-1-yl-24-phenyl-3-aza-24λ5-phosphahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene 24-oxide
CID 121310531
5-chrysen-3-yl-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
CID 121310710
24-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-3-phenyl-24-aza-3λ5-phosphahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene 3-oxide
CID 121310541
11-[4-(9,9-dimethylfluoren-4-yl)phenyl]-12-phenylphosphindolo[2,3-a]carbazole 12-oxide
CID 121310437

Frequently Asked Questions

What is the IUPAC name of 11-(1,10-phenanthrolin-3-yl)-12-phenylphosphindolo[2,3-a]carbazole 12-oxide?
The IUPAC name of 11-(1,10-phenanthrolin-3-yl)-12-phenylphosphindolo[2,3-a]carbazole 12-oxide (CID 121310442) is 11-(1,10-phenanthrolin-3-yl)-12-phenylphosphindolo[2,3-a]carbazole 12-oxide.
What is the SMILES notation for 11-(1,10-phenanthrolin-3-yl)-12-phenylphosphindolo[2,3-a]carbazole 12-oxide?
The canonical SMILES for 11-(1,10-phenanthrolin-3-yl)-12-phenylphosphindolo[2,3-a]carbazole 12-oxide is O=P1(c2ccccc2)c2ccccc2-c2ccc3c4ccccc4n(-c4cnc5c(ccc6cccnc65)c4)c3c21.
What is the InChIKey of 11-(1,10-phenanthrolin-3-yl)-12-phenylphosphindolo[2,3-a]carbazole 12-oxide?
The InChIKey is QPXSNVKVEUOUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N3OP/c40-41(26-10-2-1-3-11-26)32-15-7-5-13-28(32)30-19-18-29-27-12-4-6-14-31(27)39(35(29)36(30)41)25-21-24-17-16-23-9-8-20-37-33(23)34(24)38-22-25/h1-22H.
What are the key properties of 11-(1,10-phenanthrolin-3-yl)-12-phenylphosphindolo[2,3-a]carbazole 12-oxide?
11-(1,10-phenanthrolin-3-yl)-12-phenylphosphindolo[2,3-a]carbazole 12-oxide has a molecular weight of 543.57 g/mol, XLogP of 7.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(1,10-phenanthrolin-3-yl)-12-phenylphosphindolo[2,3-a]carbazole 12-oxide is sourced from PubChem (CID 121310442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).