9-(3,5-dipyridin-2-ylphenyl)-6-(9-phenylcarbazol-2-yl)pyrido[2,3-b]indole

C45H29N5 — CID 118587520

IUPAC9-(3,5-dipyridin-2-ylphenyl)-6-(9-phenylcarbazol-2-yl)pyrido[2,3-b]indole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4cccnc4n5-c4cc(-c5ccccn5)cc(-c5ccccn5)c4)cc32)cc1
InChIInChI=1S/C45H29N5/c1-2-11-34(12-3-1)49-42-17-5-4-13-36(42)37-20-18-31(29-44(37)49)30-19-21-43-39(28-30)38-14-10-24-48-45(38)50(43)35-26-32(40-15-6-8-22-46-40)25-33(27-35)41-16-7-9-23-47-41/h1-29H
InChIKeyPBXXASDPQZOUMA-UHFFFAOYSA-N
MW639.76 g/mol
LogP11.07
Rot. Bonds5

About 9-(3,5-dipyridin-2-ylphenyl)-6-(9-phenylcarbazol-2-yl)pyrido[2,3-b]indole

9-(3,5-dipyridin-2-ylphenyl)-6-(9-phenylcarbazol-2-yl)pyrido[2,3-b]indole (PubChem CID 118587520) has the molecular formula C45H29N5 and a molecular weight of 639.76 g/mol. Its IUPAC name is 9-(3,5-dipyridin-2-ylphenyl)-6-(9-phenylcarbazol-2-yl)pyrido[2,3-b]indole.

Molecular Properties

Compound Name9-(3,5-dipyridin-2-ylphenyl)-6-(9-phenylcarbazol-2-yl)pyrido[2,3-b]indole
PubChem CID118587520
Molecular FormulaC45H29N5
Molecular Weight639.76 g/mol
Exact Mass639.24
IUPAC Name9-(3,5-dipyridin-2-ylphenyl)-6-(9-phenylcarbazol-2-yl)pyrido[2,3-b]indole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4cccnc4n5-c4cc(-c5ccccn5)cc(-c5ccccn5)c4)cc32)cc1
InChIInChI=1S/C45H29N5/c1-2-11-34(12-3-1)49-42-17-5-4-13-36(42)37-20-18-31(29-44(37)49)30-19-21-43-39(28-30)38-14-10-24-48-45(38)50(43)35-26-32(40-15-6-8-22-46-40)25-33(27-35)41-16-7-9-23-47-41/h1-29H
InChIKeyPBXXASDPQZOUMA-UHFFFAOYSA-N
XLogP11.07
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.76
LogP ≤ 511.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-(3,5-dipyridin-2-ylphenyl)-7-(9-phenylcarbazol-2-yl)pyrido[2,3-b]indole
CID 129221618
7-[9-(3,5-dipyridin-2-ylphenyl)carbazol-3-yl]-5-phenylpyrido[3,2-b]indole
CID 129221939
9-(3,5-dipyridin-2-ylphenyl)-7-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indole
CID 129221784
9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-(9-phenylcarbazol-2-yl)pyrido[2,3-b]indole
CID 129221681
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
7-[9-[3-(3,5-dipyridin-2-ylphenyl)phenyl]carbazol-3-yl]-5-phenylpyrido[3,2-b]indole
CID 129221946
9-(3-phenyl-5-pyridin-2-ylphenyl)pyrido[2,3-b]indole
CID 158284892
9-phenyl-3-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]carbazole
CID 153423283
3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-2-ylphenyl)carbazole
CID 118967167
9-phenyl-2-pyridin-2-yl-6-[3-[2-(3-pyridin-2-ylphenyl)phenyl]phenyl]carbazole
CID 140814524
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

Frequently Asked Questions

What is the IUPAC name of 9-(3,5-dipyridin-2-ylphenyl)-6-(9-phenylcarbazol-2-yl)pyrido[2,3-b]indole?
The IUPAC name of 9-(3,5-dipyridin-2-ylphenyl)-6-(9-phenylcarbazol-2-yl)pyrido[2,3-b]indole (CID 118587520) is 9-(3,5-dipyridin-2-ylphenyl)-6-(9-phenylcarbazol-2-yl)pyrido[2,3-b]indole.
What is the SMILES notation for 9-(3,5-dipyridin-2-ylphenyl)-6-(9-phenylcarbazol-2-yl)pyrido[2,3-b]indole?
The canonical SMILES for 9-(3,5-dipyridin-2-ylphenyl)-6-(9-phenylcarbazol-2-yl)pyrido[2,3-b]indole is c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4cccnc4n5-c4cc(-c5ccccn5)cc(-c5ccccn5)c4)cc32)cc1.
What is the InChIKey of 9-(3,5-dipyridin-2-ylphenyl)-6-(9-phenylcarbazol-2-yl)pyrido[2,3-b]indole?
The InChIKey is PBXXASDPQZOUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N5/c1-2-11-34(12-3-1)49-42-17-5-4-13-36(42)37-20-18-31(29-44(37)49)30-19-21-43-39(28-30)38-14-10-24-48-45(38)50(43)35-26-32(40-15-6-8-22-46-40)25-33(27-35)41-16-7-9-23-47-41/h1-29H.
What are the key properties of 9-(3,5-dipyridin-2-ylphenyl)-6-(9-phenylcarbazol-2-yl)pyrido[2,3-b]indole?
9-(3,5-dipyridin-2-ylphenyl)-6-(9-phenylcarbazol-2-yl)pyrido[2,3-b]indole has a molecular weight of 639.76 g/mol, XLogP of 11.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,5-dipyridin-2-ylphenyl)-6-(9-phenylcarbazol-2-yl)pyrido[2,3-b]indole is sourced from PubChem (CID 118587520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).