7-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-phenylpyrido[2,3-b]indole

C51H33N5 — CID 118587684

IUPAC7-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-phenylpyrido[2,3-b]indole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc(-c6ccc7c8cccnc8n(-c8ccccc8)c7c6)cc54)c3)n2)cc1
InChIInChI=1S/C51H33N5/c1-4-14-34(15-5-1)45-33-46(35-16-6-2-7-17-35)54-50(53-45)38-18-12-21-40(30-38)55-47-24-11-10-22-41(47)42-27-25-36(31-48(42)55)37-26-28-43-44-23-13-29-52-51(44)56(49(43)32-37)39-19-8-3-9-20-39/h1-33H
InChIKeyBRRDBTGXWGXPOQ-UHFFFAOYSA-N
MW715.86 g/mol
LogP12.73
Rot. Bonds6

About 7-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-phenylpyrido[2,3-b]indole

7-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-phenylpyrido[2,3-b]indole (PubChem CID 118587684) has the molecular formula C51H33N5 and a molecular weight of 715.86 g/mol. Its IUPAC name is 7-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-phenylpyrido[2,3-b]indole.

Molecular Properties

Compound Name7-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-phenylpyrido[2,3-b]indole
PubChem CID118587684
Molecular FormulaC51H33N5
Molecular Weight715.86 g/mol
Exact Mass715.27
IUPAC Name7-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-phenylpyrido[2,3-b]indole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc(-c6ccc7c8cccnc8n(-c8ccccc8)c7c6)cc54)c3)n2)cc1
InChIInChI=1S/C51H33N5/c1-4-14-34(15-5-1)45-33-46(35-16-6-2-7-17-35)54-50(53-45)38-18-12-21-40(30-38)55-47-24-11-10-22-41(47)42-27-25-36(31-48(42)55)37-26-28-43-44-23-13-29-52-51(44)56(49(43)32-37)39-19-8-3-9-20-39/h1-33H
InChIKeyBRRDBTGXWGXPOQ-UHFFFAOYSA-N
XLogP12.73
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.86
LogP ≤ 512.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-(9-phenylcarbazol-2-yl)pyrido[2,3-b]indole
CID 129221621
7-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole
CID 129221910
6-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]-9-phenylpyrido[2,3-b]indole
CID 118587515
9-(3-phenylphenyl)-7-[9-(3-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole;9-(4-phenylphenyl)-7-[9-(3-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole
CID 157472060
9-[9-phenyl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-2-yl]pyrido[2,3-b]indole
CID 156577699
2-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;2-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 157454862
7-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-1-yl]-9-phenylpyrido[2,3-b]indole
CID 118587665
9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole;9-(4-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole;9-(4-phenylphenyl)-6-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole
CID 159710225
2-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;2-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;2-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;2-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 159745191
9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-7-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indole
CID 118587050
9-(3-carbazol-9-ylphenyl)-2-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole
CID 90209079
9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-7-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole
CID 129221363

Frequently Asked Questions

What is the IUPAC name of 7-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-phenylpyrido[2,3-b]indole?
The IUPAC name of 7-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-phenylpyrido[2,3-b]indole (CID 118587684) is 7-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-phenylpyrido[2,3-b]indole.
What is the SMILES notation for 7-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-phenylpyrido[2,3-b]indole?
The canonical SMILES for 7-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-phenylpyrido[2,3-b]indole is c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc(-c6ccc7c8cccnc8n(-c8ccccc8)c7c6)cc54)c3)n2)cc1.
What is the InChIKey of 7-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-phenylpyrido[2,3-b]indole?
The InChIKey is BRRDBTGXWGXPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N5/c1-4-14-34(15-5-1)45-33-46(35-16-6-2-7-17-35)54-50(53-45)38-18-12-21-40(30-38)55-47-24-11-10-22-41(47)42-27-25-36(31-48(42)55)37-26-28-43-44-23-13-29-52-51(44)56(49(43)32-37)39-19-8-3-9-20-39/h1-33H.
What are the key properties of 7-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-phenylpyrido[2,3-b]indole?
7-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-phenylpyrido[2,3-b]indole has a molecular weight of 715.86 g/mol, XLogP of 12.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-phenylpyrido[2,3-b]indole is sourced from PubChem (CID 118587684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).