7-diphenylphosphoryl-1,10-diphenylpyrrolo[2,3-a]carbazole

C38H27N2OP — CID 118316090

IUPAC7-diphenylphosphoryl-1,10-diphenylpyrrolo[2,3-a]carbazole
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc2c(c1)c1ccc3ccn(-c4ccccc4)c3c1n2-c1ccccc1
InChIInChI=1S/C38H27N2OP/c41-42(31-17-9-3-10-18-31,32-19-11-4-12-20-32)33-22-24-36-35(27-33)34-23-21-28-25-26-39(29-13-5-1-6-14-29)37(28)38(34)40(36)30-15-7-2-8-16-30/h1-27H
InChIKeyVFSYSCKNBATKBG-UHFFFAOYSA-N
MW558.62 g/mol
LogP8.37
Rot. Bonds5

About 7-diphenylphosphoryl-1,10-diphenylpyrrolo[2,3-a]carbazole

7-diphenylphosphoryl-1,10-diphenylpyrrolo[2,3-a]carbazole (PubChem CID 118316090) has the molecular formula C38H27N2OP and a molecular weight of 558.62 g/mol. Its IUPAC name is 7-diphenylphosphoryl-1,10-diphenylpyrrolo[2,3-a]carbazole.

Molecular Properties

Compound Name7-diphenylphosphoryl-1,10-diphenylpyrrolo[2,3-a]carbazole
PubChem CID118316090
Molecular FormulaC38H27N2OP
Molecular Weight558.62 g/mol
Exact Mass558.19
IUPAC Name7-diphenylphosphoryl-1,10-diphenylpyrrolo[2,3-a]carbazole
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc2c(c1)c1ccc3ccn(-c4ccccc4)c3c1n2-c1ccccc1
InChIInChI=1S/C38H27N2OP/c41-42(31-17-9-3-10-18-31,32-19-11-4-12-20-32)33-22-24-36-35(27-33)34-23-21-28-25-26-39(29-13-5-1-6-14-29)37(28)38(34)40(36)30-15-7-2-8-16-30/h1-27H
InChIKeyVFSYSCKNBATKBG-UHFFFAOYSA-N
XLogP8.37
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.62
LogP ≤ 58.37
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

1-phenyl-10-[3-phenyl-5-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]pyrrolo[2,3-a]carbazole
CID 90090982
10-(3,5-diphenylphenyl)-1-phenylpyrrolo[2,3-a]carbazole
CID 90371617
N,1,10-triphenyl-N-(9-phenylcarbazol-3-yl)pyrrolo[2,3-a]carbazol-7-amine
CID 118316092
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,7-diphenylpyrrolo[2,3-a]carbazole
CID 123652217
3-[(6-tert-butylnaphthalen-2-yl)-phenylphosphoryl]-6-diphenylphosphoryl-9-(4-diphenylphosphorylphenyl)carbazole
CID 87159603
10-phenyl-1-[4-(10-phenylanthracen-9-yl)phenyl]pyrrolo[2,3-a]carbazole
CID 118315994
1-(3,5-diphenylphenyl)-10-[4-[4-[1-(3,5-diphenylphenyl)pyrrolo[2,3-a]carbazol-10-yl]phenyl]phenyl]pyrrolo[2,3-a]carbazole
CID 90090913
1-phenyl-10-[3-(2-phenylcarbazol-9-yl)phenyl]pyrrolo[2,3-a]carbazole
CID 118315161
3-[(6-tert-butylnaphthalen-2-yl)-phenylphosphoryl]-9-phenylcarbazole
CID 87159769
10-(4-anthracen-9-ylphenyl)-1-phenylpyrrolo[2,3-a]carbazole
CID 118315120
12-(4-diphenylphosphorylphenyl)-5-phenylindolo[3,2-c]carbazole
CID 58175572
6-[(7-cyano-9-phenylcarbazol-3-yl)-phenylphosphoryl]-9-phenylcarbazole-2-carbonitrile
CID 134602601

Frequently Asked Questions

What is the IUPAC name of 7-diphenylphosphoryl-1,10-diphenylpyrrolo[2,3-a]carbazole?
The IUPAC name of 7-diphenylphosphoryl-1,10-diphenylpyrrolo[2,3-a]carbazole (CID 118316090) is 7-diphenylphosphoryl-1,10-diphenylpyrrolo[2,3-a]carbazole.
What is the SMILES notation for 7-diphenylphosphoryl-1,10-diphenylpyrrolo[2,3-a]carbazole?
The canonical SMILES for 7-diphenylphosphoryl-1,10-diphenylpyrrolo[2,3-a]carbazole is O=P(c1ccccc1)(c1ccccc1)c1ccc2c(c1)c1ccc3ccn(-c4ccccc4)c3c1n2-c1ccccc1.
What is the InChIKey of 7-diphenylphosphoryl-1,10-diphenylpyrrolo[2,3-a]carbazole?
The InChIKey is VFSYSCKNBATKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27N2OP/c41-42(31-17-9-3-10-18-31,32-19-11-4-12-20-32)33-22-24-36-35(27-33)34-23-21-28-25-26-39(29-13-5-1-6-14-29)37(28)38(34)40(36)30-15-7-2-8-16-30/h1-27H.
What are the key properties of 7-diphenylphosphoryl-1,10-diphenylpyrrolo[2,3-a]carbazole?
7-diphenylphosphoryl-1,10-diphenylpyrrolo[2,3-a]carbazole has a molecular weight of 558.62 g/mol, XLogP of 8.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-diphenylphosphoryl-1,10-diphenylpyrrolo[2,3-a]carbazole is sourced from PubChem (CID 118316090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).