1-carbazol-9-yl-9-(6-carbazol-9-yl-4-pyrimidin-5-yl-2-pyridinyl)carbazole

C45H28N6 — CID 177073478

IUPAC1-carbazol-9-yl-9-(6-carbazol-9-yl-4-pyrimidin-5-yl-2-pyridinyl)carbazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1cc(-c2cncnc2)cc(-n2c3ccccc3c3cccc(-n4c5ccccc5c5ccccc54)c32)n1
InChIInChI=1S/C45H28N6/c1-6-18-37-31(12-1)32-13-2-7-19-38(32)49(37)42-23-11-17-36-35-16-5-10-22-41(35)51(45(36)42)44-25-29(30-26-46-28-47-27-30)24-43(48-44)50-39-20-8-3-14-33(39)34-15-4-9-21-40(34)50/h1-28H
InChIKeyMZFFEDDOADUCQI-UHFFFAOYSA-N
MW652.76 g/mol
LogP10.83
Rot. Bonds4

About 1-carbazol-9-yl-9-(6-carbazol-9-yl-4-pyrimidin-5-yl-2-pyridinyl)carbazole

1-carbazol-9-yl-9-(6-carbazol-9-yl-4-pyrimidin-5-yl-2-pyridinyl)carbazole (PubChem CID 177073478) has the molecular formula C45H28N6 and a molecular weight of 652.76 g/mol. Its IUPAC name is 1-carbazol-9-yl-9-(6-carbazol-9-yl-4-pyrimidin-5-yl-2-pyridinyl)carbazole.

Molecular Properties

Compound Name1-carbazol-9-yl-9-(6-carbazol-9-yl-4-pyrimidin-5-yl-2-pyridinyl)carbazole
PubChem CID177073478
Molecular FormulaC45H28N6
Molecular Weight652.76 g/mol
Exact Mass652.24
IUPAC Name1-carbazol-9-yl-9-(6-carbazol-9-yl-4-pyrimidin-5-yl-2-pyridinyl)carbazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1cc(-c2cncnc2)cc(-n2c3ccccc3c3cccc(-n4c5ccccc5c5ccccc54)c32)n1
InChIInChI=1S/C45H28N6/c1-6-18-37-31(12-1)32-13-2-7-19-38(32)49(37)42-23-11-17-36-35-16-5-10-22-41(35)51(45(36)42)44-25-29(30-26-46-28-47-27-30)24-43(48-44)50-39-20-8-3-14-33(39)34-15-4-9-21-40(34)50/h1-28H
InChIKeyMZFFEDDOADUCQI-UHFFFAOYSA-N
XLogP10.83
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.76
LogP ≤ 510.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-carbazol-9-yl-1-[2,6-di(carbazol-9-yl)-4-pyridinyl]-9-phenylcarbazole
CID 153496528
9-[6-carbazol-9-yl-4-(3-methylphenyl)-2-pyridinyl]carbazole
CID 156574202
3-carbazol-9-yl-9-[6-carbazol-9-yl-4-(2-carbazol-9-ylphenyl)-2-pyridinyl]carbazole
CID 146626081
1-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 121459383
12-(6-carbazol-9-yl-2-pyridinyl)-11-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazole
CID 118041124
9-[6-carbazol-9-yl-4-(2-carbazol-9-yl-6-dibenzofuran-2-ylphenyl)-2-pyridinyl]carbazole
CID 171578653
1-carbazol-9-yl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole
CID 170096979
12-(6-carbazol-9-yl-2-pyridinyl)-11-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]indolo[2,3-a]carbazole
CID 58038308
9-[2,6-bis(1-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]-1-carbazol-9-ylcarbazole;9-[2,6-bis(1-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]-1-carbazol-9-ylcarbazole;9-dibenzothiophen-4-yl-1-[4-(9-dibenzothiophen-4-ylcarbazol-1-yl)-1,3,5-triazin-2-yl]carbazole
CID 158255989
4-[3-[2,6-di(carbazol-9-yl)-4-pyridinyl]phenyl]benzonitrile
CID 121312512
9-[6-carbazol-9-yl-4-[2,6-di(carbazol-9-yl)-4-pyridinyl]-2-pyridinyl]carbazole;9-[3-(2-carbazol-9-yl-3-pyridinyl)-2-pyridinyl]carbazole
CID 160623189
5-(6-carbazol-9-yl-4-pyridin-4-yl-2-pyridinyl)benzimidazolo[1,2-a]benzimidazole
CID 170420670

Frequently Asked Questions

What is the IUPAC name of 1-carbazol-9-yl-9-(6-carbazol-9-yl-4-pyrimidin-5-yl-2-pyridinyl)carbazole?
The IUPAC name of 1-carbazol-9-yl-9-(6-carbazol-9-yl-4-pyrimidin-5-yl-2-pyridinyl)carbazole (CID 177073478) is 1-carbazol-9-yl-9-(6-carbazol-9-yl-4-pyrimidin-5-yl-2-pyridinyl)carbazole.
What is the SMILES notation for 1-carbazol-9-yl-9-(6-carbazol-9-yl-4-pyrimidin-5-yl-2-pyridinyl)carbazole?
The canonical SMILES for 1-carbazol-9-yl-9-(6-carbazol-9-yl-4-pyrimidin-5-yl-2-pyridinyl)carbazole is c1ccc2c(c1)c1ccccc1n2-c1cc(-c2cncnc2)cc(-n2c3ccccc3c3cccc(-n4c5ccccc5c5ccccc54)c32)n1.
What is the InChIKey of 1-carbazol-9-yl-9-(6-carbazol-9-yl-4-pyrimidin-5-yl-2-pyridinyl)carbazole?
The InChIKey is MZFFEDDOADUCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N6/c1-6-18-37-31(12-1)32-13-2-7-19-38(32)49(37)42-23-11-17-36-35-16-5-10-22-41(35)51(45(36)42)44-25-29(30-26-46-28-47-27-30)24-43(48-44)50-39-20-8-3-14-33(39)34-15-4-9-21-40(34)50/h1-28H.
What are the key properties of 1-carbazol-9-yl-9-(6-carbazol-9-yl-4-pyrimidin-5-yl-2-pyridinyl)carbazole?
1-carbazol-9-yl-9-(6-carbazol-9-yl-4-pyrimidin-5-yl-2-pyridinyl)carbazole has a molecular weight of 652.76 g/mol, XLogP of 10.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbazol-9-yl-9-(6-carbazol-9-yl-4-pyrimidin-5-yl-2-pyridinyl)carbazole is sourced from PubChem (CID 177073478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).