8-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-5-phenylpyrido[3,2-b]indole

C51H33N5 — CID 129221699

IUPAC8-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-5-phenylpyrido[3,2-b]indole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ncccc6n7-c6ccccc6)cc54)c3)n2)cc1
InChIInChI=1S/C51H33N5/c1-4-14-34(15-5-1)44-33-45(35-16-6-2-7-17-35)54-51(53-44)38-18-12-21-40(30-38)56-46-23-11-10-22-41(46)42-27-25-37(32-49(42)56)36-26-28-47-43(31-36)50-48(24-13-29-52-50)55(47)39-19-8-3-9-20-39/h1-33H
InChIKeyNWMJDWYBNMZVSU-UHFFFAOYSA-N
MW715.86 g/mol
LogP12.73
Rot. Bonds6

About 8-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-5-phenylpyrido[3,2-b]indole

8-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-5-phenylpyrido[3,2-b]indole (PubChem CID 129221699) has the molecular formula C51H33N5 and a molecular weight of 715.86 g/mol. Its IUPAC name is 8-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-5-phenylpyrido[3,2-b]indole.

Molecular Properties

Compound Name8-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-5-phenylpyrido[3,2-b]indole
PubChem CID129221699
Molecular FormulaC51H33N5
Molecular Weight715.86 g/mol
Exact Mass715.27
IUPAC Name8-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-5-phenylpyrido[3,2-b]indole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ncccc6n7-c6ccccc6)cc54)c3)n2)cc1
InChIInChI=1S/C51H33N5/c1-4-14-34(15-5-1)44-33-45(35-16-6-2-7-17-35)54-51(53-44)38-18-12-21-40(30-38)56-46-23-11-10-22-41(46)42-27-25-37(32-49(42)56)36-26-28-47-43(31-36)50-48(24-13-29-52-50)55(47)39-19-8-3-9-20-39/h1-33H
InChIKeyNWMJDWYBNMZVSU-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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Frequently Asked Questions

What is the IUPAC name of 8-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-5-phenylpyrido[3,2-b]indole?
The IUPAC name of 8-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-5-phenylpyrido[3,2-b]indole (CID 129221699) is 8-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-5-phenylpyrido[3,2-b]indole.
What is the SMILES notation for 8-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-5-phenylpyrido[3,2-b]indole?
The canonical SMILES for 8-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-5-phenylpyrido[3,2-b]indole is c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ncccc6n7-c6ccccc6)cc54)c3)n2)cc1.
What is the InChIKey of 8-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-5-phenylpyrido[3,2-b]indole?
The InChIKey is NWMJDWYBNMZVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N5/c1-4-14-34(15-5-1)44-33-45(35-16-6-2-7-17-35)54-51(53-44)38-18-12-21-40(30-38)56-46-23-11-10-22-41(46)42-27-25-37(32-49(42)56)36-26-28-47-43(31-36)50-48(24-13-29-52-50)55(47)39-19-8-3-9-20-39/h1-33H.
What are the key properties of 8-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-5-phenylpyrido[3,2-b]indole?
8-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-5-phenylpyrido[3,2-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 8-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-5-phenylpyrido[3,2-b]indole is sourced from PubChem (CID 129221699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).