9-[4-[6-[4-(2,5-dipyridin-3-ylpyrrol-1-yl)phenyl]-2-pyridinyl]phenyl]carbazole

C43H29N5 — CID 58489429

IUPAC9-[4-[6-[4-(2,5-dipyridin-3-ylpyrrol-1-yl)phenyl]-2-pyridinyl]phenyl]carbazole
SMILESc1cncc(-c2ccc(-c3cccnc3)n2-c2ccc(-c3cccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)n3)cc2)c1
InChIInChI=1S/C43H29N5/c1-3-14-42-36(10-1)37-11-2-4-15-43(37)48(42)35-22-18-31(19-23-35)39-13-5-12-38(46-39)30-16-20-34(21-17-30)47-40(32-8-6-26-44-28-32)24-25-41(47)33-9-7-27-45-29-33/h1-29H
InChIKeyZWVGFYXZJAJWIX-UHFFFAOYSA-N
MW615.74 g/mol
LogP10.43
Rot. Bonds6

About 9-[4-[6-[4-(2,5-dipyridin-3-ylpyrrol-1-yl)phenyl]-2-pyridinyl]phenyl]carbazole

9-[4-[6-[4-(2,5-dipyridin-3-ylpyrrol-1-yl)phenyl]-2-pyridinyl]phenyl]carbazole (PubChem CID 58489429) has the molecular formula C43H29N5 and a molecular weight of 615.74 g/mol. Its IUPAC name is 9-[4-[6-[4-(2,5-dipyridin-3-ylpyrrol-1-yl)phenyl]-2-pyridinyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[6-[4-(2,5-dipyridin-3-ylpyrrol-1-yl)phenyl]-2-pyridinyl]phenyl]carbazole
PubChem CID58489429
Molecular FormulaC43H29N5
Molecular Weight615.74 g/mol
Exact Mass615.24
IUPAC Name9-[4-[6-[4-(2,5-dipyridin-3-ylpyrrol-1-yl)phenyl]-2-pyridinyl]phenyl]carbazole
SMILESc1cncc(-c2ccc(-c3cccnc3)n2-c2ccc(-c3cccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)n3)cc2)c1
InChIInChI=1S/C43H29N5/c1-3-14-42-36(10-1)37-11-2-4-15-43(37)48(42)35-22-18-31(19-23-35)39-13-5-12-38(46-39)30-16-20-34(21-17-30)47-40(32-8-6-26-44-28-32)24-25-41(47)33-9-7-27-45-29-33/h1-29H
InChIKeyZWVGFYXZJAJWIX-UHFFFAOYSA-N
XLogP10.43
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.74
LogP ≤ 510.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-(2,6-dipyridin-3-yl-4-pyridinyl)carbazole
CID 135264911
5-[4-[6-[6-(4-pyrido[3,2-b]indol-5-ylphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[4,3-b]indole
CID 58098979
5-[4-(4-naphthalen-1-yl-6-pyridin-3-yl-2-pyridinyl)phenyl]pyrido[4,3-b]indole
CID 59325982
3,9-diphenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-3-ylphenyl)carbazole
CID 160711176
9-[4-[2-(2-methylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 121422907
2-[3-[4-(2,5-dipyridin-3-ylpyrrol-1-yl)phenyl]-5-pyridin-2-ylphenyl]pyridine
CID 58489481
9-[4-[6-(4-pyridin-3-ylphenyl)pyren-1-yl]phenyl]carbazole
CID 58273614
9-[4-[3-[6-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-2-pyridinyl]phenyl]phenyl]carbazole
CID 58943592
3-carbazol-9-yl-9-(3-pyridin-3-ylphenyl)carbazole
CID 126749641
9-[4-[2-(4-phenylphenyl)-6-[4-[4-[3-[6-phenyl-4-[4-(4-pyrido[3,4-b]indol-9-ylphenyl)phenyl]-2-pyridinyl]phenyl]phenyl]phenyl]-4-pyridinyl]phenyl]pyrido[3,4-b]indole
CID 163966802
9-[3-carbazol-9-yl-5-(4,6-dipyridin-3-ylpyrimidin-2-yl)phenyl]carbazole
CID 162774177
2-(9-phenylcarbazol-3-yl)-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3,4-thiadiazole
CID 122593968

Frequently Asked Questions

What is the IUPAC name of 9-[4-[6-[4-(2,5-dipyridin-3-ylpyrrol-1-yl)phenyl]-2-pyridinyl]phenyl]carbazole?
The IUPAC name of 9-[4-[6-[4-(2,5-dipyridin-3-ylpyrrol-1-yl)phenyl]-2-pyridinyl]phenyl]carbazole (CID 58489429) is 9-[4-[6-[4-(2,5-dipyridin-3-ylpyrrol-1-yl)phenyl]-2-pyridinyl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[6-[4-(2,5-dipyridin-3-ylpyrrol-1-yl)phenyl]-2-pyridinyl]phenyl]carbazole?
The canonical SMILES for 9-[4-[6-[4-(2,5-dipyridin-3-ylpyrrol-1-yl)phenyl]-2-pyridinyl]phenyl]carbazole is c1cncc(-c2ccc(-c3cccnc3)n2-c2ccc(-c3cccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)n3)cc2)c1.
What is the InChIKey of 9-[4-[6-[4-(2,5-dipyridin-3-ylpyrrol-1-yl)phenyl]-2-pyridinyl]phenyl]carbazole?
The InChIKey is ZWVGFYXZJAJWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N5/c1-3-14-42-36(10-1)37-11-2-4-15-43(37)48(42)35-22-18-31(19-23-35)39-13-5-12-38(46-39)30-16-20-34(21-17-30)47-40(32-8-6-26-44-28-32)24-25-41(47)33-9-7-27-45-29-33/h1-29H.
What are the key properties of 9-[4-[6-[4-(2,5-dipyridin-3-ylpyrrol-1-yl)phenyl]-2-pyridinyl]phenyl]carbazole?
9-[4-[6-[4-(2,5-dipyridin-3-ylpyrrol-1-yl)phenyl]-2-pyridinyl]phenyl]carbazole has a molecular weight of 615.74 g/mol, XLogP of 10.43, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[6-[4-(2,5-dipyridin-3-ylpyrrol-1-yl)phenyl]-2-pyridinyl]phenyl]carbazole is sourced from PubChem (CID 58489429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).