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

C44H28N3OP — CID 121310791

IUPAC5-phenyl-12-[4-(4-phenylphenyl)quinazolin-2-yl]phosphindolo[3,2-a]carbazole 5-oxide
SMILESO=P1(c2ccccc2)c2ccccc2-c2c1ccc1c3ccccc3n(-c3nc(-c4ccc(-c5ccccc5)cc4)c4ccccc4n3)c21
InChIInChI=1S/C44H28N3OP/c48-49(32-15-5-2-6-16-32)39-22-12-9-19-36(39)41-40(49)28-27-34-33-17-8-11-21-38(33)47(43(34)41)44-45-37-20-10-7-18-35(37)42(46-44)31-25-23-30(24-26-31)29-13-3-1-4-14-29/h1-28H
InChIKeyUPYCCERKQMZGEX-UHFFFAOYSA-N
MW645.70 g/mol
LogP9.68
Rot. Bonds4

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

5-phenyl-12-[4-(4-phenylphenyl)quinazolin-2-yl]phosphindolo[3,2-a]carbazole 5-oxide (PubChem CID 121310791) has the molecular formula C44H28N3OP and a molecular weight of 645.70 g/mol. Its IUPAC name is 5-phenyl-12-[4-(4-phenylphenyl)quinazolin-2-yl]phosphindolo[3,2-a]carbazole 5-oxide.

Molecular Properties

Compound Name5-phenyl-12-[4-(4-phenylphenyl)quinazolin-2-yl]phosphindolo[3,2-a]carbazole 5-oxide
PubChem CID121310791
Molecular FormulaC44H28N3OP
Molecular Weight645.70 g/mol
Exact Mass645.20
IUPAC Name5-phenyl-12-[4-(4-phenylphenyl)quinazolin-2-yl]phosphindolo[3,2-a]carbazole 5-oxide
SMILESO=P1(c2ccccc2)c2ccccc2-c2c1ccc1c3ccccc3n(-c3nc(-c4ccc(-c5ccccc5)cc4)c4ccccc4n3)c21
InChIInChI=1S/C44H28N3OP/c48-49(32-15-5-2-6-16-32)39-22-12-9-19-36(39)41-40(49)28-27-34-33-17-8-11-21-38(33)47(43(34)41)44-45-37-20-10-7-18-35(37)42(46-44)31-25-23-30(24-26-31)29-13-3-1-4-14-29/h1-28H
InChIKeyUPYCCERKQMZGEX-UHFFFAOYSA-N
XLogP9.68
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.70
LogP ≤ 59.68
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

12-phenyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]phosphindolo[2,3-a]carbazole 12-oxide
CID 121310411
12-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-5-phenylphosphindolo[3,2-a]carbazole 5-oxide
CID 121310859
5-phenyl-12-[4-(9-phenylcarbazol-3-yl)phenyl]phosphindolo[3,2-a]carbazole 5-oxide
CID 121310884
(5S)-12-(4-dibenzofuran-3-ylphenyl)-5-phenylphosphindolo[3,2-a]carbazole 5-oxide
CID 134444525
12-(9,9-dimethyl-6-phenylfluoren-3-yl)-5-phenylphosphindolo[3,2-a]carbazole 5-oxide
CID 121310803
N-[4-[4-(5-oxo-5-phenylphosphindolo[3,2-a]carbazol-12-yl)phenyl]phenyl]-N,9-diphenylcarbazol-2-amine
CID 121310892
24-[4-(4-phenylphenyl)quinazolin-2-yl]-24-azahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,12,15,17(25),18,20,22-dodecaene
CID 121432163
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
6-(4-carbazol-9-ylphenyl)-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole
CID 134552523
[4-[4-(2-carbazol-9-ylquinazolin-4-yl)phenyl]phenyl]-triphenylsilane
CID 88869147
5-(4-phenylquinazolin-2-yl)-1,5-diazaoctacyclo[17.10.1.02,18.03,15.04,12.06,11.023,30.024,29]triaconta-2(18),3(15),4(12),6,8,10,13,16,19,21,23(30),24,26,28-tetradecaene
CID 142290372
12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 126580317

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-12-[4-(4-phenylphenyl)quinazolin-2-yl]phosphindolo[3,2-a]carbazole 5-oxide?
The IUPAC name of 5-phenyl-12-[4-(4-phenylphenyl)quinazolin-2-yl]phosphindolo[3,2-a]carbazole 5-oxide (CID 121310791) is 5-phenyl-12-[4-(4-phenylphenyl)quinazolin-2-yl]phosphindolo[3,2-a]carbazole 5-oxide.
What is the SMILES notation for 5-phenyl-12-[4-(4-phenylphenyl)quinazolin-2-yl]phosphindolo[3,2-a]carbazole 5-oxide?
The canonical SMILES for 5-phenyl-12-[4-(4-phenylphenyl)quinazolin-2-yl]phosphindolo[3,2-a]carbazole 5-oxide is O=P1(c2ccccc2)c2ccccc2-c2c1ccc1c3ccccc3n(-c3nc(-c4ccc(-c5ccccc5)cc4)c4ccccc4n3)c21.
What is the InChIKey of 5-phenyl-12-[4-(4-phenylphenyl)quinazolin-2-yl]phosphindolo[3,2-a]carbazole 5-oxide?
The InChIKey is UPYCCERKQMZGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N3OP/c48-49(32-15-5-2-6-16-32)39-22-12-9-19-36(39)41-40(49)28-27-34-33-17-8-11-21-38(33)47(43(34)41)44-45-37-20-10-7-18-35(37)42(46-44)31-25-23-30(24-26-31)29-13-3-1-4-14-29/h1-28H.
What are the key properties of 5-phenyl-12-[4-(4-phenylphenyl)quinazolin-2-yl]phosphindolo[3,2-a]carbazole 5-oxide?
5-phenyl-12-[4-(4-phenylphenyl)quinazolin-2-yl]phosphindolo[3,2-a]carbazole 5-oxide has a molecular weight of 645.70 g/mol, XLogP of 9.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-12-[4-(4-phenylphenyl)quinazolin-2-yl]phosphindolo[3,2-a]carbazole 5-oxide is sourced from PubChem (CID 121310791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).