[4-(3,6-diphenylcarbazol-9-yl)phenyl]-diphenylphosphane

C42H30NP — CID 163733187

IUPAC[4-(3,6-diphenylcarbazol-9-yl)phenyl]-diphenylphosphane
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(P(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C42H30NP/c1-5-13-31(14-6-1)33-21-27-41-39(29-33)40-30-34(32-15-7-2-8-16-32)22-28-42(40)43(41)35-23-25-38(26-24-35)44(36-17-9-3-10-18-36)37-19-11-4-12-20-37/h1-30H
InChIKeyLBJDNDAHGFYGCY-UHFFFAOYSA-N
MW579.68 g/mol
LogP9.88
Rot. Bonds6

About [4-(3,6-diphenylcarbazol-9-yl)phenyl]-diphenylphosphane

[4-(3,6-diphenylcarbazol-9-yl)phenyl]-diphenylphosphane (PubChem CID 163733187) has the molecular formula C42H30NP and a molecular weight of 579.68 g/mol. Its IUPAC name is [4-(3,6-diphenylcarbazol-9-yl)phenyl]-diphenylphosphane.

Molecular Properties

Compound Name[4-(3,6-diphenylcarbazol-9-yl)phenyl]-diphenylphosphane
PubChem CID163733187
Molecular FormulaC42H30NP
Molecular Weight579.68 g/mol
Exact Mass579.21
IUPAC Name[4-(3,6-diphenylcarbazol-9-yl)phenyl]-diphenylphosphane
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(P(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C42H30NP/c1-5-13-31(14-6-1)33-21-27-41-39(29-33)40-30-34(32-15-7-2-8-16-32)22-28-42(40)43(41)35-23-25-38(26-24-35)44(36-17-9-3-10-18-36)37-19-11-4-12-20-37/h1-30H
InChIKeyLBJDNDAHGFYGCY-UHFFFAOYSA-N
XLogP9.88
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.68
LogP ≤ 59.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158399670
3,6-bis(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazole
CID 170001752
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860
9-phenyl-3-(3-phenylphenyl)-6-[4-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 129054646
hydride;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 163952243
[4-(3,6-diphenylcarbazol-9-yl)phenyl]silane
CID 137330036
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-[4-[4-[3-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590322
9-[4-(3,5-diphenylphenyl)phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 118231210
2-(3,6-diphenylcarbazol-9-yl)-9-[4-[2-(3,6-diphenylcarbazol-9-yl)-6-phenylcarbazol-9-yl]phenyl]-6-phenylcarbazole
CID 176786489

Frequently Asked Questions

What is the IUPAC name of [4-(3,6-diphenylcarbazol-9-yl)phenyl]-diphenylphosphane?
The IUPAC name of [4-(3,6-diphenylcarbazol-9-yl)phenyl]-diphenylphosphane (CID 163733187) is [4-(3,6-diphenylcarbazol-9-yl)phenyl]-diphenylphosphane.
What is the SMILES notation for [4-(3,6-diphenylcarbazol-9-yl)phenyl]-diphenylphosphane?
The canonical SMILES for [4-(3,6-diphenylcarbazol-9-yl)phenyl]-diphenylphosphane is c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(P(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of [4-(3,6-diphenylcarbazol-9-yl)phenyl]-diphenylphosphane?
The InChIKey is LBJDNDAHGFYGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30NP/c1-5-13-31(14-6-1)33-21-27-41-39(29-33)40-30-34(32-15-7-2-8-16-32)22-28-42(40)43(41)35-23-25-38(26-24-35)44(36-17-9-3-10-18-36)37-19-11-4-12-20-37/h1-30H.
What are the key properties of [4-(3,6-diphenylcarbazol-9-yl)phenyl]-diphenylphosphane?
[4-(3,6-diphenylcarbazol-9-yl)phenyl]-diphenylphosphane has a molecular weight of 579.68 g/mol, XLogP of 9.88, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,6-diphenylcarbazol-9-yl)phenyl]-diphenylphosphane is sourced from PubChem (CID 163733187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).