3-carbazol-9-yl-9-(3-carbazol-9-yl-5-pyridin-2-ylphenyl)carbazole

C47H30N4 — CID 155770026

IUPAC3-carbazol-9-yl-9-(3-carbazol-9-yl-5-pyridin-2-ylphenyl)carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)nc1
InChIInChI=1S/C47H30N4/c1-6-19-42-35(13-1)36-14-2-7-20-43(36)49(42)32-24-25-47-40(30-32)39-17-5-10-23-46(39)51(47)34-28-31(41-18-11-12-26-48-41)27-33(29-34)50-44-21-8-3-15-37(44)38-16-4-9-22-45(38)50/h1-30H
InChIKeyRKWGWXMIIBCBME-UHFFFAOYSA-N
MW650.79 g/mol
LogP12.04
Rot. Bonds4

About 3-carbazol-9-yl-9-(3-carbazol-9-yl-5-pyridin-2-ylphenyl)carbazole

3-carbazol-9-yl-9-(3-carbazol-9-yl-5-pyridin-2-ylphenyl)carbazole (PubChem CID 155770026) has the molecular formula C47H30N4 and a molecular weight of 650.79 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-(3-carbazol-9-yl-5-pyridin-2-ylphenyl)carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-(3-carbazol-9-yl-5-pyridin-2-ylphenyl)carbazole
PubChem CID155770026
Molecular FormulaC47H30N4
Molecular Weight650.79 g/mol
Exact Mass650.25
IUPAC Name3-carbazol-9-yl-9-(3-carbazol-9-yl-5-pyridin-2-ylphenyl)carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)nc1
InChIInChI=1S/C47H30N4/c1-6-19-42-35(13-1)36-14-2-7-20-43(36)49(42)32-24-25-47-40(30-32)39-17-5-10-23-46(39)51(47)34-28-31(41-18-11-12-26-48-41)27-33(29-34)50-44-21-8-3-15-37(44)38-16-4-9-22-45(38)50/h1-30H
InChIKeyRKWGWXMIIBCBME-UHFFFAOYSA-N
XLogP12.04
TPSA27.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.79
LogP ≤ 512.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenyl-(4-pyridin-2-ylphenyl)silane
CID 132545707
9-(3-carbazol-9-ylphenyl)-3-(3-pyridin-2-ylphenyl)carbazole
CID 71277989
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
9-(6-carbazol-9-yl-9,10-dipyridin-2-ylanthracen-2-yl)carbazole
CID 59221065
9-[3-(4,6-diphenylpyrimidin-2-yl)-5-(3-pyridin-2-ylcarbazol-9-yl)phenyl]-3-pyridin-2-ylcarbazole
CID 151236642
9,14-bis(3-pyridin-2-ylphenyl)-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 118504672
9-[3-carbazol-9-yl-5-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole;3-carbazol-9-yl-9-phenylcarbazole
CID 163609508
9-[3-methyl-4-[10-(4-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]carbazole
CID 90249694
3-carbazol-9-yl-9-[3-carbazol-9-yl-5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]carbazole
CID 168836615
9-(9-phenylcarbazol-3-yl)-3-pyridin-2-yl-6-(trifluoromethyl)carbazole
CID 134343625
9-phenyl-3-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]carbazole
CID 153423283

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-(3-carbazol-9-yl-5-pyridin-2-ylphenyl)carbazole?
The IUPAC name of 3-carbazol-9-yl-9-(3-carbazol-9-yl-5-pyridin-2-ylphenyl)carbazole (CID 155770026) is 3-carbazol-9-yl-9-(3-carbazol-9-yl-5-pyridin-2-ylphenyl)carbazole.
What is the SMILES notation for 3-carbazol-9-yl-9-(3-carbazol-9-yl-5-pyridin-2-ylphenyl)carbazole?
The canonical SMILES for 3-carbazol-9-yl-9-(3-carbazol-9-yl-5-pyridin-2-ylphenyl)carbazole is c1ccc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)nc1.
What is the InChIKey of 3-carbazol-9-yl-9-(3-carbazol-9-yl-5-pyridin-2-ylphenyl)carbazole?
The InChIKey is RKWGWXMIIBCBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N4/c1-6-19-42-35(13-1)36-14-2-7-20-43(36)49(42)32-24-25-47-40(30-32)39-17-5-10-23-46(39)51(47)34-28-31(41-18-11-12-26-48-41)27-33(29-34)50-44-21-8-3-15-37(44)38-16-4-9-22-45(38)50/h1-30H.
What are the key properties of 3-carbazol-9-yl-9-(3-carbazol-9-yl-5-pyridin-2-ylphenyl)carbazole?
3-carbazol-9-yl-9-(3-carbazol-9-yl-5-pyridin-2-ylphenyl)carbazole has a molecular weight of 650.79 g/mol, XLogP of 12.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-(3-carbazol-9-yl-5-pyridin-2-ylphenyl)carbazole is sourced from PubChem (CID 155770026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).