1-[9H-carbazol-1-yl(phenyl)phosphoryl]-9H-carbazole

C30H21N2OP — CID 156587859

IUPAC1-[9H-carbazol-1-yl(phenyl)phosphoryl]-9H-carbazole
SMILESO=P(c1ccccc1)(c1cccc2c1[nH]c1ccccc12)c1cccc2c1[nH]c1ccccc12
InChIInChI=1S/C30H21N2OP/c33-34(20-10-2-1-3-11-20,27-18-8-14-23-21-12-4-6-16-25(21)31-29(23)27)28-19-9-15-24-22-13-5-7-17-26(22)32-30(24)28/h1-19,31-32H
InChIKeyMRZHYJSUZDAFTB-UHFFFAOYSA-N
MW456.49 g/mol
LogP6.59
Rot. Bonds3

About 1-[9H-carbazol-1-yl(phenyl)phosphoryl]-9H-carbazole

1-[9H-carbazol-1-yl(phenyl)phosphoryl]-9H-carbazole (PubChem CID 156587859) has the molecular formula C30H21N2OP and a molecular weight of 456.49 g/mol. Its IUPAC name is 1-[9H-carbazol-1-yl(phenyl)phosphoryl]-9H-carbazole.

Molecular Properties

Compound Name1-[9H-carbazol-1-yl(phenyl)phosphoryl]-9H-carbazole
PubChem CID156587859
Molecular FormulaC30H21N2OP
Molecular Weight456.49 g/mol
Exact Mass456.14
IUPAC Name1-[9H-carbazol-1-yl(phenyl)phosphoryl]-9H-carbazole
SMILESO=P(c1ccccc1)(c1cccc2c1[nH]c1ccccc12)c1cccc2c1[nH]c1ccccc12
InChIInChI=1S/C30H21N2OP/c33-34(20-10-2-1-3-11-20,27-18-8-14-23-21-12-4-6-16-25(21)31-29(23)27)28-19-9-15-24-22-13-5-7-17-26(22)32-30(24)28/h1-19,31-32H
InChIKeyMRZHYJSUZDAFTB-UHFFFAOYSA-N
XLogP6.59
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.49
LogP ≤ 56.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[9H-carbazol-2-yl(phenyl)phosphoryl]-9H-carbazole
CID 175356190
9H-carbazole-1-carbaldehyde
CID 11745551
1-diphenylphosphorylnaphthalene
CID 11023927
1-[2-(9H-carbazol-1-yl)phenyl]-9H-carbazole
CID 66618059
1-diphenylphosphorylnaphthalene;terbium
CID 161386720
1-[[4-[4-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]phenyl]-phenylphosphoryl]naphthalene
CID 58982863
N-(9H-carbazol-1-yl)benzamide
CID 138533611
9H-carbazol-1-ylboronic acid
CID 53421584
9H-carbazole
CID 66668984
1-[4-[4-[4-[4-(9H-carbazol-1-yl)phenyl]phenyl]phenyl]phenyl]-9H-carbazole
CID 175958773
1-(9H-carbazol-1-yl)pyrrole-2,5-dione
CID 175123803
2-(9H-carbazole-1-carbonyl)benzoic acid
CID 54401477

Frequently Asked Questions

What is the IUPAC name of 1-[9H-carbazol-1-yl(phenyl)phosphoryl]-9H-carbazole?
The IUPAC name of 1-[9H-carbazol-1-yl(phenyl)phosphoryl]-9H-carbazole (CID 156587859) is 1-[9H-carbazol-1-yl(phenyl)phosphoryl]-9H-carbazole.
What is the SMILES notation for 1-[9H-carbazol-1-yl(phenyl)phosphoryl]-9H-carbazole?
The canonical SMILES for 1-[9H-carbazol-1-yl(phenyl)phosphoryl]-9H-carbazole is O=P(c1ccccc1)(c1cccc2c1[nH]c1ccccc12)c1cccc2c1[nH]c1ccccc12.
What is the InChIKey of 1-[9H-carbazol-1-yl(phenyl)phosphoryl]-9H-carbazole?
The InChIKey is MRZHYJSUZDAFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21N2OP/c33-34(20-10-2-1-3-11-20,27-18-8-14-23-21-12-4-6-16-25(21)31-29(23)27)28-19-9-15-24-22-13-5-7-17-26(22)32-30(24)28/h1-19,31-32H.
What are the key properties of 1-[9H-carbazol-1-yl(phenyl)phosphoryl]-9H-carbazole?
1-[9H-carbazol-1-yl(phenyl)phosphoryl]-9H-carbazole has a molecular weight of 456.49 g/mol, XLogP of 6.59, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9H-carbazol-1-yl(phenyl)phosphoryl]-9H-carbazole is sourced from PubChem (CID 156587859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).