9-[6-[carbazol-9-yl-(6-carbazol-9-yl-2-pyridinyl)phosphoryl]-2-pyridinyl]carbazole

C46H30N5OP — CID 58518415

IUPAC9-[6-[carbazol-9-yl-(6-carbazol-9-yl-2-pyridinyl)phosphoryl]-2-pyridinyl]carbazole
SMILESO=P(c1cccc(-n2c3ccccc3c3ccccc32)n1)(c1cccc(-n2c3ccccc3c3ccccc32)n1)n1c2ccccc2c2ccccc21
InChIInChI=1S/C46H30N5OP/c52-53(51-41-25-11-5-19-35(41)36-20-6-12-26-42(36)51,45-29-13-27-43(47-45)49-37-21-7-1-15-31(37)32-16-2-8-22-38(32)49)46-30-14-28-44(48-46)50-39-23-9-3-17-33(39)34-18-4-10-24-40(34)50/h1-30H
InChIKeySDPORXAXJBXEQN-UHFFFAOYSA-N
MW699.75 g/mol
LogP10.56
Rot. Bonds5

About 9-[6-[carbazol-9-yl-(6-carbazol-9-yl-2-pyridinyl)phosphoryl]-2-pyridinyl]carbazole

9-[6-[carbazol-9-yl-(6-carbazol-9-yl-2-pyridinyl)phosphoryl]-2-pyridinyl]carbazole (PubChem CID 58518415) has the molecular formula C46H30N5OP and a molecular weight of 699.75 g/mol. Its IUPAC name is 9-[6-[carbazol-9-yl-(6-carbazol-9-yl-2-pyridinyl)phosphoryl]-2-pyridinyl]carbazole.

Molecular Properties

Compound Name9-[6-[carbazol-9-yl-(6-carbazol-9-yl-2-pyridinyl)phosphoryl]-2-pyridinyl]carbazole
PubChem CID58518415
Molecular FormulaC46H30N5OP
Molecular Weight699.75 g/mol
Exact Mass699.22
IUPAC Name9-[6-[carbazol-9-yl-(6-carbazol-9-yl-2-pyridinyl)phosphoryl]-2-pyridinyl]carbazole
SMILESO=P(c1cccc(-n2c3ccccc3c3ccccc32)n1)(c1cccc(-n2c3ccccc3c3ccccc32)n1)n1c2ccccc2c2ccccc21
InChIInChI=1S/C46H30N5OP/c52-53(51-41-25-11-5-19-35(41)36-20-6-12-26-42(36)51,45-29-13-27-43(47-45)49-37-21-7-1-15-31(37)32-16-2-8-22-38(32)49)46-30-14-28-44(48-46)50-39-23-9-3-17-33(39)34-18-4-10-24-40(34)50/h1-30H
InChIKeySDPORXAXJBXEQN-UHFFFAOYSA-N
XLogP10.56
TPSA57.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.75
LogP ≤ 510.56
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

9-[6-[carbazol-9-yl-(6-carbazol-9-ylpyridazin-3-yl)phosphoryl]pyridazin-3-yl]carbazole
CID 58518349
6-[carbazol-9-yl-[6-(N-phenylanilino)-2-pyridinyl]phosphoryl]-N,N-diphenylpyridin-2-amine
CID 58518421
9-[6-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]carbazole
CID 118041251
9,14-bis(6-carbazol-9-yl-2-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 58038361
N-[bis[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]phosphoryl]-N-phenylaniline
CID 58518389
9-[4-carbazol-9-yl-6-(6-carbazol-9-yl-2-pyridinyl)-1,3,5-triazin-2-yl]carbazole
CID 165047384
12-(6-carbazol-9-yl-2-pyridinyl)-11-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]indolo[2,3-a]carbazole
CID 58038308
5-(3-carbazol-9-ylphenyl)-11-(6-carbazol-9-yl-2-pyridinyl)indolo[3,2-b]carbazole
CID 118458147
5-[6-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indole
CID 59480507
9-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]pyrido[3,4-b]indole
CID 59480497
5,7-bis(6-phenyl-2-pyridinyl)indolo[2,3-b]carbazole
CID 58038356
9-(6-carbazol-9-yl-2-pyridinyl)carbazole-3,6-dicarbonitrile
CID 118650226

Frequently Asked Questions

What is the IUPAC name of 9-[6-[carbazol-9-yl-(6-carbazol-9-yl-2-pyridinyl)phosphoryl]-2-pyridinyl]carbazole?
The IUPAC name of 9-[6-[carbazol-9-yl-(6-carbazol-9-yl-2-pyridinyl)phosphoryl]-2-pyridinyl]carbazole (CID 58518415) is 9-[6-[carbazol-9-yl-(6-carbazol-9-yl-2-pyridinyl)phosphoryl]-2-pyridinyl]carbazole.
What is the SMILES notation for 9-[6-[carbazol-9-yl-(6-carbazol-9-yl-2-pyridinyl)phosphoryl]-2-pyridinyl]carbazole?
The canonical SMILES for 9-[6-[carbazol-9-yl-(6-carbazol-9-yl-2-pyridinyl)phosphoryl]-2-pyridinyl]carbazole is O=P(c1cccc(-n2c3ccccc3c3ccccc32)n1)(c1cccc(-n2c3ccccc3c3ccccc32)n1)n1c2ccccc2c2ccccc21.
What is the InChIKey of 9-[6-[carbazol-9-yl-(6-carbazol-9-yl-2-pyridinyl)phosphoryl]-2-pyridinyl]carbazole?
The InChIKey is SDPORXAXJBXEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N5OP/c52-53(51-41-25-11-5-19-35(41)36-20-6-12-26-42(36)51,45-29-13-27-43(47-45)49-37-21-7-1-15-31(37)32-16-2-8-22-38(32)49)46-30-14-28-44(48-46)50-39-23-9-3-17-33(39)34-18-4-10-24-40(34)50/h1-30H.
What are the key properties of 9-[6-[carbazol-9-yl-(6-carbazol-9-yl-2-pyridinyl)phosphoryl]-2-pyridinyl]carbazole?
9-[6-[carbazol-9-yl-(6-carbazol-9-yl-2-pyridinyl)phosphoryl]-2-pyridinyl]carbazole has a molecular weight of 699.75 g/mol, XLogP of 10.56, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-[carbazol-9-yl-(6-carbazol-9-yl-2-pyridinyl)phosphoryl]-2-pyridinyl]carbazole is sourced from PubChem (CID 58518415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).