5-(4-naphthalen-2-ylphenyl)-11-phenylphosphindolo[3,2-b]carbazole 11-oxide;11-phenyl-5-(4-quinolin-7-ylphenyl)phosphindolo[3,2-b]carbazole 11-oxide;11-phenyl-5-(4-quinolin-8-ylphenyl)phosphindolo[3,2-b]carbazole 11-oxide

C118H76N5O3P3 — CID 157358110

IUPAC5-(4-naphthalen-2-ylphenyl)-11-phenylphosphindolo[3,2-b]carbazole 11-oxide;11-phenyl-5-(4-quinolin-7-ylphenyl)phosphindolo[3,2-b]carbazole 11-oxide;11-phenyl-5-(4-quinolin-8-ylphenyl)phosphindolo[3,2-b]carbazole 11-oxide
SMILESO=P1(c2ccccc2)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc(-c2ccc3ccccc3c2)cc1.O=P1(c2ccccc2)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc(-c2ccc3cccnc3c2)cc1.O=P1(c2ccccc2)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc(-c2cccc3cccnc23)cc1
InChIInChI=1S/C40H26NOP.2C39H25N2OP/c42-43(32-12-2-1-3-13-32)39-17-9-7-15-34(39)36-25-38-35(26-40(36)43)33-14-6-8-16-37(33)41(38)31-22-20-28(21-23-31)30-19-18-27-10-4-5-11-29(27)24-30;42-43(29-12-2-1-3-13-29)37-18-7-5-15-32(37)34-24-36-33(25-38(34)43)31-14-4-6-17-35(31)41(36)28-21-19-26(20-22-28)30-16-8-10-27-11-9-23-40-39(27)30;42-43(30-10-2-1-3-11-30)38-15-7-5-13-32(38)34-24-37-33(25-39(34)43)31-12-4-6-14-36(31)41(37)29-20-18-26(19-21-29)28-17-16-27-9-8-22-40-35(27)23-28/h1-26H;2*1-25H
InChIKeyBIIBVRZFEATLFK-UHFFFAOYSA-N
MW1704.86 g/mol
LogP26.46
Rot. Bonds9

About 5-(4-naphthalen-2-ylphenyl)-11-phenylphosphindolo[3,2-b]carbazole 11-oxide;11-phenyl-5-(4-quinolin-7-ylphenyl)phosphindolo[3,2-b]carbazole 11-oxide;11-phenyl-5-(4-quinolin-8-ylphenyl)phosphindolo[3,2-b]carbazole 11-oxide

5-(4-naphthalen-2-ylphenyl)-11-phenylphosphindolo[3,2-b]carbazole 11-oxide;11-phenyl-5-(4-quinolin-7-ylphenyl)phosphindolo[3,2-b]carbazole 11-oxide;11-phenyl-5-(4-quinolin-8-ylphenyl)phosphindolo[3,2-b]carbazole 11-oxide (PubChem CID 157358110) has the molecular formula C118H76N5O3P3 and a molecular weight of 1704.86 g/mol. Its IUPAC name is 5-(4-naphthalen-2-ylphenyl)-11-phenylphosphindolo[3,2-b]carbazole 11-oxide;11-phenyl-5-(4-quinolin-7-ylphenyl)phosphindolo[3,2-b]carbazole 11-oxide;11-phenyl-5-(4-quinolin-8-ylphenyl)phosphindolo[3,2-b]carbazole 11-oxide.

Molecular Properties

Compound Name5-(4-naphthalen-2-ylphenyl)-11-phenylphosphindolo[3,2-b]carbazole 11-oxide;11-phenyl-5-(4-quinolin-7-ylphenyl)phosphindolo[3,2-b]carbazole 11-oxide;11-phenyl-5-(4-quinolin-8-ylphenyl)phosphindolo[3,2-b]carbazole 11-oxide
PubChem CID157358110
Molecular FormulaC118H76N5O3P3
Molecular Weight1704.86 g/mol
Exact Mass1703.52
IUPAC Name5-(4-naphthalen-2-ylphenyl)-11-phenylphosphindolo[3,2-b]carbazole 11-oxide;11-phenyl-5-(4-quinolin-7-ylphenyl)phosphindolo[3,2-b]carbazole 11-oxide;11-phenyl-5-(4-quinolin-8-ylphenyl)phosphindolo[3,2-b]carbazole 11-oxide
SMILESO=P1(c2ccccc2)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc(-c2ccc3ccccc3c2)cc1.O=P1(c2ccccc2)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc(-c2ccc3cccnc3c2)cc1.O=P1(c2ccccc2)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc(-c2cccc3cccnc23)cc1
InChIInChI=1S/C40H26NOP.2C39H25N2OP/c42-43(32-12-2-1-3-13-32)39-17-9-7-15-34(39)36-25-38-35(26-40(36)43)33-14-6-8-16-37(33)41(38)31-22-20-28(21-23-31)30-19-18-27-10-4-5-11-29(27)24-30;42-43(29-12-2-1-3-13-29)37-18-7-5-15-32(37)34-24-36-33(25-38(34)43)31-14-4-6-17-35(31)41(36)28-21-19-26(20-22-28)30-16-8-10-27-11-9-23-40-39(27)30;42-43(30-10-2-1-3-11-30)38-15-7-5-13-32(38)34-24-37-33(25-39(34)43)31-12-4-6-14-36(31)41(37)29-20-18-26(19-21-29)28-17-16-27-9-8-22-40-35(27)23-28/h1-26H;2*1-25H
InChIKeyBIIBVRZFEATLFK-UHFFFAOYSA-N
XLogP26.46
TPSA91.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms129
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001704.86
LogP ≤ 526.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 5-(4-naphthalen-2-ylphenyl)-11-phenylphosphindolo[3,2-b]carbazole 11-oxide;11-phenyl-5-(4-quinolin-7-ylphenyl)phosphindolo[3,2-b]carbazole 11-oxide;11-phenyl-5-(4-quinolin-8-ylphenyl)phosphindolo[3,2-b]carbazole 11-oxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(4-naphthalen-2-ylphenyl)-11-phenylphosphindolo[3,2-b]carbazole 11-oxide;11-phenyl-5-(4-quinolin-7-ylphenyl)phosphindolo[3,2-b]carbazole 11-oxide;11-phenyl-5-(4-quinolin-8-ylphenyl)phosphindolo[3,2-b]carbazole 11-oxide?
The IUPAC name of 5-(4-naphthalen-2-ylphenyl)-11-phenylphosphindolo[3,2-b]carbazole 11-oxide;11-phenyl-5-(4-quinolin-7-ylphenyl)phosphindolo[3,2-b]carbazole 11-oxide;11-phenyl-5-(4-quinolin-8-ylphenyl)phosphindolo[3,2-b]carbazole 11-oxide (CID 157358110) is 5-(4-naphthalen-2-ylphenyl)-11-phenylphosphindolo[3,2-b]carbazole 11-oxide;11-phenyl-5-(4-quinolin-7-ylphenyl)phosphindolo[3,2-b]carbazole 11-oxide;11-phenyl-5-(4-quinolin-8-ylphenyl)phosphindolo[3,2-b]carbazole 11-oxide.
What is the SMILES notation for 5-(4-naphthalen-2-ylphenyl)-11-phenylphosphindolo[3,2-b]carbazole 11-oxide;11-phenyl-5-(4-quinolin-7-ylphenyl)phosphindolo[3,2-b]carbazole 11-oxide;11-phenyl-5-(4-quinolin-8-ylphenyl)phosphindolo[3,2-b]carbazole 11-oxide?
The canonical SMILES for 5-(4-naphthalen-2-ylphenyl)-11-phenylphosphindolo[3,2-b]carbazole 11-oxide;11-phenyl-5-(4-quinolin-7-ylphenyl)phosphindolo[3,2-b]carbazole 11-oxide;11-phenyl-5-(4-quinolin-8-ylphenyl)phosphindolo[3,2-b]carbazole 11-oxide is O=P1(c2ccccc2)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc(-c2ccc3ccccc3c2)cc1.O=P1(c2ccccc2)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc(-c2ccc3cccnc3c2)cc1.O=P1(c2ccccc2)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc(-c2cccc3cccnc23)cc1.
What is the InChIKey of 5-(4-naphthalen-2-ylphenyl)-11-phenylphosphindolo[3,2-b]carbazole 11-oxide;11-phenyl-5-(4-quinolin-7-ylphenyl)phosphindolo[3,2-b]carbazole 11-oxide;11-phenyl-5-(4-quinolin-8-ylphenyl)phosphindolo[3,2-b]carbazole 11-oxide?
The InChIKey is BIIBVRZFEATLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26NOP.2C39H25N2OP/c42-43(32-12-2-1-3-13-32)39-17-9-7-15-34(39)36-25-38-35(26-40(36)43)33-14-6-8-16-37(33)41(38)31-22-20-28(21-23-31)30-19-18-27-10-4-5-11-29(27)24-30;42-43(29-12-2-1-3-13-29)37-18-7-5-15-32(37)34-24-36-33(25-38(34)43)31-14-4-6-17-35(31)41(36)28-21-19-26(20-22-28)30-16-8-10-27-11-9-23-40-39(27)30;42-43(30-10-2-1-3-11-30)38-15-7-5-13-32(38)34-24-37-33(25-39(34)43)31-12-4-6-14-36(31)41(37)29-20-18-26(19-21-29)28-17-16-27-9-8-22-40-35(27)23-28/h1-26H;2*1-25H.
What are the key properties of 5-(4-naphthalen-2-ylphenyl)-11-phenylphosphindolo[3,2-b]carbazole 11-oxide;11-phenyl-5-(4-quinolin-7-ylphenyl)phosphindolo[3,2-b]carbazole 11-oxide;11-phenyl-5-(4-quinolin-8-ylphenyl)phosphindolo[3,2-b]carbazole 11-oxide?
5-(4-naphthalen-2-ylphenyl)-11-phenylphosphindolo[3,2-b]carbazole 11-oxide;11-phenyl-5-(4-quinolin-7-ylphenyl)phosphindolo[3,2-b]carbazole 11-oxide;11-phenyl-5-(4-quinolin-8-ylphenyl)phosphindolo[3,2-b]carbazole 11-oxide has a molecular weight of 1704.86 g/mol, XLogP of 26.46, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-naphthalen-2-ylphenyl)-11-phenylphosphindolo[3,2-b]carbazole 11-oxide;11-phenyl-5-(4-quinolin-7-ylphenyl)phosphindolo[3,2-b]carbazole 11-oxide;11-phenyl-5-(4-quinolin-8-ylphenyl)phosphindolo[3,2-b]carbazole 11-oxide is sourced from PubChem (CID 157358110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).