(5S)-12-(4-dibenzofuran-3-ylphenyl)-5-phenylphosphindolo[3,2-a]carbazole 5-oxide

C42H26NO2P — CID 134444525

IUPAC(5S)-12-(4-dibenzofuran-3-ylphenyl)-5-phenylphosphindolo[3,2-a]carbazole 5-oxide
SMILESO=[P@@]1(c2ccccc2)c2ccccc2-c2c1ccc1c3ccccc3n(-c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c21
InChIInChI=1S/C42H26NO2P/c44-46(30-10-2-1-3-11-30)39-17-9-6-14-35(39)41-40(46)25-24-34-31-12-4-7-15-36(31)43(42(34)41)29-21-18-27(19-22-29)28-20-23-33-32-13-5-8-16-37(32)45-38(33)26-28/h1-26H/t46-/m0/s1
InChIKeyZKQHJIRBAHTJDP-DXQCBLCSSA-N
MW607.65 g/mol
LogP9.97
Rot. Bonds3

About (5S)-12-(4-dibenzofuran-3-ylphenyl)-5-phenylphosphindolo[3,2-a]carbazole 5-oxide

(5S)-12-(4-dibenzofuran-3-ylphenyl)-5-phenylphosphindolo[3,2-a]carbazole 5-oxide (PubChem CID 134444525) has the molecular formula C42H26NO2P and a molecular weight of 607.65 g/mol. Its IUPAC name is (5S)-12-(4-dibenzofuran-3-ylphenyl)-5-phenylphosphindolo[3,2-a]carbazole 5-oxide.

Molecular Properties

Compound Name(5S)-12-(4-dibenzofuran-3-ylphenyl)-5-phenylphosphindolo[3,2-a]carbazole 5-oxide
PubChem CID134444525
Molecular FormulaC42H26NO2P
Molecular Weight607.65 g/mol
Exact Mass607.17
IUPAC Name(5S)-12-(4-dibenzofuran-3-ylphenyl)-5-phenylphosphindolo[3,2-a]carbazole 5-oxide
SMILESO=[P@@]1(c2ccccc2)c2ccccc2-c2c1ccc1c3ccccc3n(-c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c21
InChIInChI=1S/C42H26NO2P/c44-46(30-10-2-1-3-11-30)39-17-9-6-14-35(39)41-40(46)25-24-34-31-12-4-7-15-36(31)43(42(34)41)29-21-18-27(19-22-29)28-20-23-33-32-13-5-8-16-37(32)45-38(33)26-28/h1-26H/t46-/m0/s1
InChIKeyZKQHJIRBAHTJDP-DXQCBLCSSA-N
XLogP9.97
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.65
LogP ≤ 59.97
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

5-phenyl-12-[4-(9-phenylcarbazol-3-yl)phenyl]phosphindolo[3,2-a]carbazole 5-oxide
CID 121310884
12-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-5-phenylphosphindolo[3,2-a]carbazole 5-oxide
CID 121310859
9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-1-phenylcarbazole
CID 163676020
1-dibenzofuran-3-yl-9-phenylcarbazole
CID 137466533
12-phenyl-11-[4-(9-phenylcarbazol-2-yl)phenyl]phosphindolo[2,3-a]carbazole 12-oxide
CID 121310510
4-[9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]carbazol-1-yl]-9-phenylcarbazole
CID 166510001
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
2-[9-[4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 170386572
3-isocyano-5-(5-oxo-5-phenylphosphindolo[3,2-a]carbazol-12-yl)benzonitrile
CID 140713869
3-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 129065102
3-dibenzofuran-3-yl-15-phenyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene
CID 122465434
12-phenyl-11-[4-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]phosphindolo[2,3-a]carbazole 12-oxide
CID 121310471

Frequently Asked Questions

What is the IUPAC name of (5S)-12-(4-dibenzofuran-3-ylphenyl)-5-phenylphosphindolo[3,2-a]carbazole 5-oxide?
The IUPAC name of (5S)-12-(4-dibenzofuran-3-ylphenyl)-5-phenylphosphindolo[3,2-a]carbazole 5-oxide (CID 134444525) is (5S)-12-(4-dibenzofuran-3-ylphenyl)-5-phenylphosphindolo[3,2-a]carbazole 5-oxide.
What is the SMILES notation for (5S)-12-(4-dibenzofuran-3-ylphenyl)-5-phenylphosphindolo[3,2-a]carbazole 5-oxide?
The canonical SMILES for (5S)-12-(4-dibenzofuran-3-ylphenyl)-5-phenylphosphindolo[3,2-a]carbazole 5-oxide is O=[P@@]1(c2ccccc2)c2ccccc2-c2c1ccc1c3ccccc3n(-c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c21.
What is the InChIKey of (5S)-12-(4-dibenzofuran-3-ylphenyl)-5-phenylphosphindolo[3,2-a]carbazole 5-oxide?
The InChIKey is ZKQHJIRBAHTJDP-DXQCBLCSSA-N. The full InChI is InChI=1S/C42H26NO2P/c44-46(30-10-2-1-3-11-30)39-17-9-6-14-35(39)41-40(46)25-24-34-31-12-4-7-15-36(31)43(42(34)41)29-21-18-27(19-22-29)28-20-23-33-32-13-5-8-16-37(32)45-38(33)26-28/h1-26H/t46-/m0/s1.
What are the key properties of (5S)-12-(4-dibenzofuran-3-ylphenyl)-5-phenylphosphindolo[3,2-a]carbazole 5-oxide?
(5S)-12-(4-dibenzofuran-3-ylphenyl)-5-phenylphosphindolo[3,2-a]carbazole 5-oxide has a molecular weight of 607.65 g/mol, XLogP of 9.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-12-(4-dibenzofuran-3-ylphenyl)-5-phenylphosphindolo[3,2-a]carbazole 5-oxide is sourced from PubChem (CID 134444525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).