12-(4-diphenylphosphorylphenyl)-5-phenylindolo[3,2-c]carbazole

C42H29N2OP — CID 58175572

IUPAC12-(4-diphenylphosphorylphenyl)-5-phenylindolo[3,2-c]carbazole
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)cc1
InChIInChI=1S/C42H29N2OP/c45-46(32-16-6-2-7-17-32,33-18-8-3-9-19-33)34-26-24-31(25-27-34)44-38-22-12-10-20-35(38)36-28-29-40-41(42(36)44)37-21-11-13-23-39(37)43(40)30-14-4-1-5-15-30/h1-29H
InChIKeyCYCRWYYGFDVZBN-UHFFFAOYSA-N
MW608.68 g/mol
LogP9.52
Rot. Bonds5

About 12-(4-diphenylphosphorylphenyl)-5-phenylindolo[3,2-c]carbazole

12-(4-diphenylphosphorylphenyl)-5-phenylindolo[3,2-c]carbazole (PubChem CID 58175572) has the molecular formula C42H29N2OP and a molecular weight of 608.68 g/mol. Its IUPAC name is 12-(4-diphenylphosphorylphenyl)-5-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name12-(4-diphenylphosphorylphenyl)-5-phenylindolo[3,2-c]carbazole
PubChem CID58175572
Molecular FormulaC42H29N2OP
Molecular Weight608.68 g/mol
Exact Mass608.20
IUPAC Name12-(4-diphenylphosphorylphenyl)-5-phenylindolo[3,2-c]carbazole
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)cc1
InChIInChI=1S/C42H29N2OP/c45-46(32-16-6-2-7-17-32,33-18-8-3-9-19-33)34-26-24-31(25-27-34)44-38-22-12-10-20-35(38)36-28-29-40-41(42(36)44)37-21-11-13-23-39(37)43(40)30-14-4-1-5-15-30/h1-29H
InChIKeyCYCRWYYGFDVZBN-UHFFFAOYSA-N
XLogP9.52
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.68
LogP ≤ 59.52
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-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole
CID 134240235
5,12-diphenylindolo[3,2-c]carbazole
CID 22105108
5-[4-[4-[12-(3-carbazol-9-ylphenyl)indolo[2,3-a]carbazol-11-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 88917457
5-(9-phenylcarbazol-2-yl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 134168829
12-(4-carbazol-9-ylphenyl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 134168741
12-(3-phenylphenyl)-5-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598833
5-(3-phenylphenyl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 126656172
12-[3-(4-carbazol-9-ylphenyl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 134168746
12-(3,5-diphenylphenyl)-5-phenylindolo[3,2-c]carbazole;12-(3,5-diphenylphenyl)-5-(4-phenylphenyl)indolo[3,2-c]carbazole;12-[4-(3,5-diphenylphenyl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 167636301
12-phenyl-5-[3-phenyl-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole
CID 58038424
9,15-diphenyl-9,15-diazahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene
CID 122464932
5-[3-[11-(3-carbazol-9-ylphenyl)indolo[2,3-a]carbazol-12-yl]-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 88917462

Frequently Asked Questions

What is the IUPAC name of 12-(4-diphenylphosphorylphenyl)-5-phenylindolo[3,2-c]carbazole?
The IUPAC name of 12-(4-diphenylphosphorylphenyl)-5-phenylindolo[3,2-c]carbazole (CID 58175572) is 12-(4-diphenylphosphorylphenyl)-5-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 12-(4-diphenylphosphorylphenyl)-5-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 12-(4-diphenylphosphorylphenyl)-5-phenylindolo[3,2-c]carbazole is O=P(c1ccccc1)(c1ccccc1)c1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)cc1.
What is the InChIKey of 12-(4-diphenylphosphorylphenyl)-5-phenylindolo[3,2-c]carbazole?
The InChIKey is CYCRWYYGFDVZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29N2OP/c45-46(32-16-6-2-7-17-32,33-18-8-3-9-19-33)34-26-24-31(25-27-34)44-38-22-12-10-20-35(38)36-28-29-40-41(42(36)44)37-21-11-13-23-39(37)43(40)30-14-4-1-5-15-30/h1-29H.
What are the key properties of 12-(4-diphenylphosphorylphenyl)-5-phenylindolo[3,2-c]carbazole?
12-(4-diphenylphosphorylphenyl)-5-phenylindolo[3,2-c]carbazole has a molecular weight of 608.68 g/mol, XLogP of 9.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4-diphenylphosphorylphenyl)-5-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 58175572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).