9-[3-[phenyl(pyridin-2-yl)phosphoryl]phenyl]-3-[9-[3-[phenyl(pyridin-2-yl)phosphoryl]phenyl]carbazol-3-yl]carbazole

C58H40N4O2P2 — CID 164937824

IUPAC9-[3-[phenyl(pyridin-2-yl)phosphoryl]phenyl]-3-[9-[3-[phenyl(pyridin-2-yl)phosphoryl]phenyl]carbazol-3-yl]carbazole
SMILESO=P(c1ccccc1)(c1cccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(P(=O)(c5ccccc5)c5ccccn5)c4)ccc32)c1)c1ccccn1
InChIInChI=1S/C58H40N4O2P2/c63-65(45-19-3-1-4-20-45,57-29-11-13-35-59-57)47-23-15-17-43(39-47)61-53-27-9-7-25-49(53)51-37-41(31-33-55(51)61)42-32-34-56-52(38-42)50-26-8-10-28-54(50)62(56)44-18-16-24-48(40-44)66(64,46-21-5-2-6-22-46)58-30-12-14-36-60-58/h1-40H
InChIKeyNCOZSSXQHRXLHM-UHFFFAOYSA-N
MW886.93 g/mol
LogP11.62
Rot. Bonds9

About 9-[3-[phenyl(pyridin-2-yl)phosphoryl]phenyl]-3-[9-[3-[phenyl(pyridin-2-yl)phosphoryl]phenyl]carbazol-3-yl]carbazole

9-[3-[phenyl(pyridin-2-yl)phosphoryl]phenyl]-3-[9-[3-[phenyl(pyridin-2-yl)phosphoryl]phenyl]carbazol-3-yl]carbazole (PubChem CID 164937824) has the molecular formula C58H40N4O2P2 and a molecular weight of 886.93 g/mol. Its IUPAC name is 9-[3-[phenyl(pyridin-2-yl)phosphoryl]phenyl]-3-[9-[3-[phenyl(pyridin-2-yl)phosphoryl]phenyl]carbazol-3-yl]carbazole.

Molecular Properties

Compound Name9-[3-[phenyl(pyridin-2-yl)phosphoryl]phenyl]-3-[9-[3-[phenyl(pyridin-2-yl)phosphoryl]phenyl]carbazol-3-yl]carbazole
PubChem CID164937824
Molecular FormulaC58H40N4O2P2
Molecular Weight886.93 g/mol
Exact Mass886.26
IUPAC Name9-[3-[phenyl(pyridin-2-yl)phosphoryl]phenyl]-3-[9-[3-[phenyl(pyridin-2-yl)phosphoryl]phenyl]carbazol-3-yl]carbazole
SMILESO=P(c1ccccc1)(c1cccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(P(=O)(c5ccccc5)c5ccccn5)c4)ccc32)c1)c1ccccn1
InChIInChI=1S/C58H40N4O2P2/c63-65(45-19-3-1-4-20-45,57-29-11-13-35-59-57)47-23-15-17-43(39-47)61-53-27-9-7-25-49(53)51-37-41(31-33-55(51)61)42-32-34-56-52(38-42)50-26-8-10-28-54(50)62(56)44-18-16-24-48(40-44)66(64,46-21-5-2-6-22-46)58-30-12-14-36-60-58/h1-40H
InChIKeyNCOZSSXQHRXLHM-UHFFFAOYSA-N
XLogP11.62
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500886.93
LogP ≤ 511.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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
9-phenyl-3-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]carbazole
CID 153423283
9-(3-carbazol-9-ylphenyl)-3-(3-pyridin-2-ylphenyl)carbazole
CID 71277989
9-[3-[[2-[[2-[[3-(2-methylpyrimidin-5-yl)phenyl]-phenylphosphoryl]phenyl]methyl]phenyl]-phenylphosphoryl]phenyl]carbazole
CID 135193032
3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-pyrimidin-2-ylcarbazole
CID 118487712
3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-2-ylphenyl)carbazole
CID 118967167
9-(3-carbazol-9-ylphenyl)-3-(3-pyridin-2-ylphenyl)carbazole;ethane
CID 144541414
3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 118449494
3-[9-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]carbazol-3-yl]-9-phenylcarbazole
CID 170315703
3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 174179535
bis(3-carbazol-9-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole);9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 159641883
9-[3-[3,6-bis(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-3,6-bis(3-carbazol-9-ylphenyl)carbazole
CID 153162679

Frequently Asked Questions

What is the IUPAC name of 9-[3-[phenyl(pyridin-2-yl)phosphoryl]phenyl]-3-[9-[3-[phenyl(pyridin-2-yl)phosphoryl]phenyl]carbazol-3-yl]carbazole?
The IUPAC name of 9-[3-[phenyl(pyridin-2-yl)phosphoryl]phenyl]-3-[9-[3-[phenyl(pyridin-2-yl)phosphoryl]phenyl]carbazol-3-yl]carbazole (CID 164937824) is 9-[3-[phenyl(pyridin-2-yl)phosphoryl]phenyl]-3-[9-[3-[phenyl(pyridin-2-yl)phosphoryl]phenyl]carbazol-3-yl]carbazole.
What is the SMILES notation for 9-[3-[phenyl(pyridin-2-yl)phosphoryl]phenyl]-3-[9-[3-[phenyl(pyridin-2-yl)phosphoryl]phenyl]carbazol-3-yl]carbazole?
The canonical SMILES for 9-[3-[phenyl(pyridin-2-yl)phosphoryl]phenyl]-3-[9-[3-[phenyl(pyridin-2-yl)phosphoryl]phenyl]carbazol-3-yl]carbazole is O=P(c1ccccc1)(c1cccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(P(=O)(c5ccccc5)c5ccccn5)c4)ccc32)c1)c1ccccn1.
What is the InChIKey of 9-[3-[phenyl(pyridin-2-yl)phosphoryl]phenyl]-3-[9-[3-[phenyl(pyridin-2-yl)phosphoryl]phenyl]carbazol-3-yl]carbazole?
The InChIKey is NCOZSSXQHRXLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N4O2P2/c63-65(45-19-3-1-4-20-45,57-29-11-13-35-59-57)47-23-15-17-43(39-47)61-53-27-9-7-25-49(53)51-37-41(31-33-55(51)61)42-32-34-56-52(38-42)50-26-8-10-28-54(50)62(56)44-18-16-24-48(40-44)66(64,46-21-5-2-6-22-46)58-30-12-14-36-60-58/h1-40H.
What are the key properties of 9-[3-[phenyl(pyridin-2-yl)phosphoryl]phenyl]-3-[9-[3-[phenyl(pyridin-2-yl)phosphoryl]phenyl]carbazol-3-yl]carbazole?
9-[3-[phenyl(pyridin-2-yl)phosphoryl]phenyl]-3-[9-[3-[phenyl(pyridin-2-yl)phosphoryl]phenyl]carbazol-3-yl]carbazole has a molecular weight of 886.93 g/mol, XLogP of 11.62, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[phenyl(pyridin-2-yl)phosphoryl]phenyl]-3-[9-[3-[phenyl(pyridin-2-yl)phosphoryl]phenyl]carbazol-3-yl]carbazole is sourced from PubChem (CID 164937824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).