[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-diphenoxyphosphane

C42H29N2O2P — CID 155671513

IUPAC[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-diphenoxyphosphane
SMILESc1ccc(OP(Oc2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C42H29N2O2P/c1-3-16-32(17-4-1)45-47(46-33-18-5-2-6-19-33)34-26-27-42-38(29-34)37-22-9-12-25-41(37)44(42)31-15-13-14-30(28-31)43-39-23-10-7-20-35(39)36-21-8-11-24-40(36)43/h1-29H
InChIKeyHGQIKZKFDRNABX-UHFFFAOYSA-N
MW624.68 g/mol
LogP10.98
Rot. Bonds7

About [9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-diphenoxyphosphane

[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-diphenoxyphosphane (PubChem CID 155671513) has the molecular formula C42H29N2O2P and a molecular weight of 624.68 g/mol. Its IUPAC name is [9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-diphenoxyphosphane.

Molecular Properties

Compound Name[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-diphenoxyphosphane
PubChem CID155671513
Molecular FormulaC42H29N2O2P
Molecular Weight624.68 g/mol
Exact Mass624.20
IUPAC Name[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-diphenoxyphosphane
SMILESc1ccc(OP(Oc2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C42H29N2O2P/c1-3-16-32(17-4-1)45-47(46-33-18-5-2-6-19-33)34-26-27-42-38(29-34)37-22-9-12-25-41(37)44(42)31-15-13-14-30(28-31)43-39-23-10-7-20-35(39)36-21-8-11-24-40(36)43/h1-29H
InChIKeyHGQIKZKFDRNABX-UHFFFAOYSA-N
XLogP10.98
TPSA28.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.68
LogP ≤ 510.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9-(3-carbazol-9-ylphenyl)carbazole;methane
CID 157215827
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
3-methyl-9-[3-(3-methylcarbazol-9-yl)phenyl]carbazole
CID 59399075
3-carbazol-9-yl-9-phenylcarbazole;ethane
CID 145117169
3-[9-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]carbazol-3-yl]-9-phenylcarbazole
CID 170315703
9-[3-[3,6-bis(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-3,6-bis(3-carbazol-9-ylphenyl)carbazole
CID 153162679
16-(3-carbazol-9-ylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 155465799
9-[3-carbazol-9-yl-5-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole;3-carbazol-9-yl-9-phenylcarbazole
CID 163609508
3,6-ditert-butyl-9-(3-carbazol-9-ylphenyl)carbazole
CID 59399108
3-carbazol-9-yl-9-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]carbazole;3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]carbazole;3-carbazol-9-yl-9-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]carbazole;3-carbazol-9-yl-9-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazole
CID 158665027
2-carbazol-9-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 118504684
2-(3-carbazol-9-ylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 121274440

Frequently Asked Questions

What is the IUPAC name of [9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-diphenoxyphosphane?
The IUPAC name of [9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-diphenoxyphosphane (CID 155671513) is [9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-diphenoxyphosphane.
What is the SMILES notation for [9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-diphenoxyphosphane?
The canonical SMILES for [9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-diphenoxyphosphane is c1ccc(OP(Oc2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1.
What is the InChIKey of [9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-diphenoxyphosphane?
The InChIKey is HGQIKZKFDRNABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29N2O2P/c1-3-16-32(17-4-1)45-47(46-33-18-5-2-6-19-33)34-26-27-42-38(29-34)37-22-9-12-25-41(37)44(42)31-15-13-14-30(28-31)43-39-23-10-7-20-35(39)36-21-8-11-24-40(36)43/h1-29H.
What are the key properties of [9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-diphenoxyphosphane?
[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-diphenoxyphosphane has a molecular weight of 624.68 g/mol, XLogP of 10.98, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-diphenoxyphosphane is sourced from PubChem (CID 155671513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).