3-[(6-tert-butylnaphthalen-2-yl)-phenylphosphoryl]-9-phenylcarbazole

C38H32NOP — CID 87159769

IUPAC3-[(6-tert-butylnaphthalen-2-yl)-phenylphosphoryl]-9-phenylcarbazole
SMILESCC(C)(C)c1ccc2cc(P(=O)(c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2c1
InChIInChI=1S/C38H32NOP/c1-38(2,3)29-20-18-28-25-32(21-19-27(28)24-29)41(40,31-14-8-5-9-15-31)33-22-23-37-35(26-33)34-16-10-11-17-36(34)39(37)30-12-6-4-7-13-30/h4-26H,1-3H3
InChIKeyQXDKZMBTMSGFSL-UHFFFAOYSA-N
MW549.65 g/mol
LogP8.87
Rot. Bonds4

About 3-[(6-tert-butylnaphthalen-2-yl)-phenylphosphoryl]-9-phenylcarbazole

3-[(6-tert-butylnaphthalen-2-yl)-phenylphosphoryl]-9-phenylcarbazole (PubChem CID 87159769) has the molecular formula C38H32NOP and a molecular weight of 549.65 g/mol. Its IUPAC name is 3-[(6-tert-butylnaphthalen-2-yl)-phenylphosphoryl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[(6-tert-butylnaphthalen-2-yl)-phenylphosphoryl]-9-phenylcarbazole
PubChem CID87159769
Molecular FormulaC38H32NOP
Molecular Weight549.65 g/mol
Exact Mass549.22
IUPAC Name3-[(6-tert-butylnaphthalen-2-yl)-phenylphosphoryl]-9-phenylcarbazole
SMILESCC(C)(C)c1ccc2cc(P(=O)(c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2c1
InChIInChI=1S/C38H32NOP/c1-38(2,3)29-20-18-28-25-32(21-19-27(28)24-29)41(40,31-14-8-5-9-15-31)33-22-23-37-35(26-33)34-16-10-11-17-36(34)39(37)30-12-6-4-7-13-30/h4-26H,1-3H3
InChIKeyQXDKZMBTMSGFSL-UHFFFAOYSA-N
XLogP8.87
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.65
LogP ≤ 58.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[(6-tert-butylnaphthalen-2-yl)-phenylphosphoryl]-9-phenylcarbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(6-tert-butylnaphthalen-2-yl)-phenylphosphoryl]-6-diphenylphosphoryl-9-(4-diphenylphosphorylphenyl)carbazole
CID 87159603
2,7-bis(diphenylphosphoryl)-9-phenylcarbazole;3,6-bis(diphenylphosphoryl)-9-phenylcarbazole;9-(4-tert-butylphenyl)-3,6-ditritylcarbazole;9-(3-carbazol-9-ylphenyl)-3-diphenylphosphorylcarbazole
CID 164994259
3-[phenanthren-9-yl(phenyl)phosphoryl]-9-phenylcarbazole
CID 87159646
3-(3-tert-butylcarbazol-9-yl)-6-carbazol-9-yl-9-phenylcarbazole
CID 59399314
9-[4-[(4-carbazol-9-ylphenyl)-phenylphosphoryl]phenyl]carbazole;9-(8-diphenylphosphoryldibenzofuran-2-yl)carbazole;3-diphenylphosphoryl-9-(4-diphenylphosphorylphenyl)carbazole
CID 159051293
3,6-ditert-butyl-9-(3-carbazol-9-ylphenyl)carbazole
CID 59399108
5-bis(4-phenylphenyl)phosphoryl-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene
CID 138742058
2,7-bis(3,6-ditert-butylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 121355698
3-[4-[[4-(3-carbazol-9-ylphenyl)phenyl]-phenylphosphoryl]phenyl]-9-phenylcarbazole;9-phenyl-2-[4-[phenyl-[4-(9-phenylcarbazol-3-yl)phenyl]phosphoryl]phenyl]carbazole;9-phenyl-3-[4-[phenyl-[4-(9-phenylcarbazol-3-yl)phenyl]phosphoryl]phenyl]carbazole
CID 157211543
6-[(7-cyano-9-phenylcarbazol-3-yl)-phenylphosphoryl]-9-phenylcarbazole-2-carbonitrile
CID 134602601
9-(4-tert-butylphenyl)-3,6-di(carbazol-9-yl)carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-phenylcarbazol-3-yl]carbazole;3,6-di(carbazol-9-yl)-9-(4-methylphenyl)carbazole
CID 158450509
7-diphenylphosphoryl-1,10-diphenylpyrrolo[2,3-a]carbazole
CID 118316090

Frequently Asked Questions

What is the IUPAC name of 3-[(6-tert-butylnaphthalen-2-yl)-phenylphosphoryl]-9-phenylcarbazole?
The IUPAC name of 3-[(6-tert-butylnaphthalen-2-yl)-phenylphosphoryl]-9-phenylcarbazole (CID 87159769) is 3-[(6-tert-butylnaphthalen-2-yl)-phenylphosphoryl]-9-phenylcarbazole.
What is the SMILES notation for 3-[(6-tert-butylnaphthalen-2-yl)-phenylphosphoryl]-9-phenylcarbazole?
The canonical SMILES for 3-[(6-tert-butylnaphthalen-2-yl)-phenylphosphoryl]-9-phenylcarbazole is CC(C)(C)c1ccc2cc(P(=O)(c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2c1.
What is the InChIKey of 3-[(6-tert-butylnaphthalen-2-yl)-phenylphosphoryl]-9-phenylcarbazole?
The InChIKey is QXDKZMBTMSGFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32NOP/c1-38(2,3)29-20-18-28-25-32(21-19-27(28)24-29)41(40,31-14-8-5-9-15-31)33-22-23-37-35(26-33)34-16-10-11-17-36(34)39(37)30-12-6-4-7-13-30/h4-26H,1-3H3.
What are the key properties of 3-[(6-tert-butylnaphthalen-2-yl)-phenylphosphoryl]-9-phenylcarbazole?
3-[(6-tert-butylnaphthalen-2-yl)-phenylphosphoryl]-9-phenylcarbazole has a molecular weight of 549.65 g/mol, XLogP of 8.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-tert-butylnaphthalen-2-yl)-phenylphosphoryl]-9-phenylcarbazole is sourced from PubChem (CID 87159769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).