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

C51H33N5 — CID 129221991

IUPAC5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-8-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5ncccc54)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)56-48-28-26-37(32-43(48)50-49(56)24-13-29-52-50)36-25-27-47-42(31-36)41-22-10-11-23-46(41)55(47)39-19-8-3-9-20-39/h1-33H
InChIKeyBFIIQFDRXHHTKD-UHFFFAOYSA-N
MW715.86 g/mol
LogP12.73
Rot. Bonds6

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

5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-8-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole (PubChem CID 129221991) has the molecular formula C51H33N5 and a molecular weight of 715.86 g/mol. Its IUPAC name is 5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-8-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole.

Molecular Properties

Compound Name5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-8-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole
PubChem CID129221991
Molecular FormulaC51H33N5
Molecular Weight715.86 g/mol
Exact Mass715.27
IUPAC Name5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-8-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5ncccc54)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)56-48-28-26-37(32-43(48)50-49(56)24-13-29-52-50)36-25-27-47-42(31-36)41-22-10-11-23-46(41)55(47)39-19-8-3-9-20-39/h1-33H
InChIKeyBFIIQFDRXHHTKD-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

8-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-5-phenylpyrido[3,2-b]indole
CID 118587585
5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-8-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole
CID 118587590
5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole
CID 118587602
5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-8-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole
CID 118587633
5-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-8-(9-phenylcarbazol-4-yl)pyrido[3,2-b]indole;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-8-(9-phenylcarbazol-4-yl)pyrido[3,2-b]indole
CID 159364735
9-[4-[2,6-bis[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126630575
9-[3-[2-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126632710
8-[9-[3-(3,5-dipyridin-2-ylphenyl)phenyl]carbazol-3-yl]-5-phenylpyrido[3,2-b]indole
CID 129221984
8-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-1-yl]-5-phenylpyrido[3,2-b]indole
CID 129221525
5-(2,6-diphenyl-4-pyridinyl)-8-(9-phenylcarbazol-2-yl)pyrido[3,2-b]indole
CID 129222031
8-(9-phenylcarbazol-2-yl)-5-(3-phenylphenyl)pyrido[3,2-b]indole;8-(9-phenylcarbazol-2-yl)-5-(4-phenylphenyl)pyrido[3,2-b]indole;5-(3-phenylphenyl)-8-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[3,2-b]indole
CID 161395661
3-[9-[4-[2,6-bis[3-[2-[9-phenyl-6-(9-phenylcarbazol-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]carbazol-2-yl]-9-phenyl-6-(9-phenylcarbazol-2-yl)carbazole
CID 126630464

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-8-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole?
The IUPAC name of 5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-8-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole (CID 129221991) is 5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-8-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole.
What is the SMILES notation for 5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-8-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole?
The canonical SMILES for 5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-8-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole is c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5ncccc54)c3)n2)cc1.
What is the InChIKey of 5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-8-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole?
The InChIKey is BFIIQFDRXHHTKD-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)56-48-28-26-37(32-43(48)50-49(56)24-13-29-52-50)36-25-27-47-42(31-36)41-22-10-11-23-46(41)55(47)39-19-8-3-9-20-39/h1-33H.
What are the key properties of 5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-8-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole?
5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-8-(9-phenylcarbazol-3-yl)pyrido[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 5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-8-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole is sourced from PubChem (CID 129221991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).