7-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-1-yl]-9-phenylpyrido[2,3-b]indole

C51H33N5 — CID 118587665

IUPAC7-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-1-yl]-9-phenylpyrido[2,3-b]indole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cccc(-c6ccc7c8cccnc8n(-c8ccccc8)c7c6)c54)cc3)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)36-25-28-39(29-26-36)55-47-24-11-10-20-41(47)43-22-12-21-40(49(43)55)37-27-30-42-44-23-13-31-52-51(44)56(48(42)32-37)38-18-8-3-9-19-38/h1-33H
InChIKeyAVZDQTDKYFGXPY-UHFFFAOYSA-N
MW715.86 g/mol
LogP12.73
Rot. Bonds6

About 7-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-1-yl]-9-phenylpyrido[2,3-b]indole

7-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-1-yl]-9-phenylpyrido[2,3-b]indole (PubChem CID 118587665) has the molecular formula C51H33N5 and a molecular weight of 715.86 g/mol. Its IUPAC name is 7-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-1-yl]-9-phenylpyrido[2,3-b]indole.

Molecular Properties

Compound Name7-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-1-yl]-9-phenylpyrido[2,3-b]indole
PubChem CID118587665
Molecular FormulaC51H33N5
Molecular Weight715.86 g/mol
Exact Mass715.27
IUPAC Name7-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-1-yl]-9-phenylpyrido[2,3-b]indole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cccc(-c6ccc7c8cccnc8n(-c8ccccc8)c7c6)c54)cc3)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)36-25-28-39(29-26-36)55-47-24-11-10-20-41(47)43-22-12-21-40(49(43)55)37-27-30-42-44-23-13-31-52-51(44)56(48(42)32-37)38-18-8-3-9-19-38/h1-33H
InChIKeyAVZDQTDKYFGXPY-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-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-7-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole;9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-7-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole;9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole
CID 162011548
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole
CID 129221371
9-(4,6-diphenylpyrimidin-2-yl)-7-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole
CID 118587670
9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-7-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole
CID 129221363
9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole
CID 129221443
9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole
CID 118587653
7-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole
CID 129221910
9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-(9-phenylcarbazol-2-yl)pyrido[2,3-b]indole
CID 129221621
6-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]-9-phenylpyrido[2,3-b]indole
CID 118587515
7-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-phenylpyrido[2,3-b]indole
CID 118587684
7-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole
CID 129221779
1-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[4-(9-phenylcarbazol-1-yl)phenyl]carbazole
CID 118149455

Frequently Asked Questions

What is the IUPAC name of 7-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-1-yl]-9-phenylpyrido[2,3-b]indole?
The IUPAC name of 7-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-1-yl]-9-phenylpyrido[2,3-b]indole (CID 118587665) is 7-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-1-yl]-9-phenylpyrido[2,3-b]indole.
What is the SMILES notation for 7-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-1-yl]-9-phenylpyrido[2,3-b]indole?
The canonical SMILES for 7-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-1-yl]-9-phenylpyrido[2,3-b]indole is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cccc(-c6ccc7c8cccnc8n(-c8ccccc8)c7c6)c54)cc3)n2)cc1.
What is the InChIKey of 7-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-1-yl]-9-phenylpyrido[2,3-b]indole?
The InChIKey is AVZDQTDKYFGXPY-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)36-25-28-39(29-26-36)55-47-24-11-10-20-41(47)43-22-12-21-40(49(43)55)37-27-30-42-44-23-13-31-52-51(44)56(48(42)32-37)38-18-8-3-9-19-38/h1-33H.
What are the key properties of 7-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-1-yl]-9-phenylpyrido[2,3-b]indole?
7-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-1-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-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-1-yl]-9-phenylpyrido[2,3-b]indole is sourced from PubChem (CID 118587665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).