7-bromo-3-(3-pyridin-2-ylphenyl)-10H-pyrrolo[3,2-a]carbazole

C25H16BrN3 — CID 90062469

IUPAC7-bromo-3-(3-pyridin-2-ylphenyl)-10H-pyrrolo[3,2-a]carbazole
SMILESBrc1ccc2[nH]c3c(ccc4c3ccn4-c3cccc(-c4ccccn4)c3)c2c1
InChIInChI=1S/C25H16BrN3/c26-17-7-9-23-21(15-17)19-8-10-24-20(25(19)28-23)11-13-29(24)18-5-3-4-16(14-18)22-6-1-2-12-27-22/h1-15,28H
InChIKeyDXNSNFBQBYVFGB-UHFFFAOYSA-N
MW438.33 g/mol
LogP7.09
Rot. Bonds2

About 7-bromo-3-(3-pyridin-2-ylphenyl)-10H-pyrrolo[3,2-a]carbazole

7-bromo-3-(3-pyridin-2-ylphenyl)-10H-pyrrolo[3,2-a]carbazole (PubChem CID 90062469) has the molecular formula C25H16BrN3 and a molecular weight of 438.33 g/mol. Its IUPAC name is 7-bromo-3-(3-pyridin-2-ylphenyl)-10H-pyrrolo[3,2-a]carbazole.

Molecular Properties

Compound Name7-bromo-3-(3-pyridin-2-ylphenyl)-10H-pyrrolo[3,2-a]carbazole
PubChem CID90062469
Molecular FormulaC25H16BrN3
Molecular Weight438.33 g/mol
Exact Mass437.05
IUPAC Name7-bromo-3-(3-pyridin-2-ylphenyl)-10H-pyrrolo[3,2-a]carbazole
SMILESBrc1ccc2[nH]c3c(ccc4c3ccn4-c3cccc(-c4ccccn4)c3)c2c1
InChIInChI=1S/C25H16BrN3/c26-17-7-9-23-21(15-17)19-8-10-24-20(25(19)28-23)11-13-29(24)18-5-3-4-16(14-18)22-6-1-2-12-27-22/h1-15,28H
InChIKeyDXNSNFBQBYVFGB-UHFFFAOYSA-N
XLogP7.09
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.33
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-9-[3-(3,5-dipyridin-2-ylphenyl)phenyl]carbazole
CID 118587567
10-(3,5-diphenylphenyl)-3-phenyl-7-(4-pyridin-2-ylphenyl)pyrrolo[3,2-a]carbazole
CID 123851568
6-bromo-2-phenyl-9H-carbazole
CID 118493011
9,14-bis(3-pyridin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 118504672
6-bromo-1-chloro-9H-pyrido[3,4-b]indole
CID 115051764
1-[1-methyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]-9H-carbazole
CID 140934482
17-phenyl-23-(3-pyridin-2-ylphenyl)-3-thia-17,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,18,20-decaene
CID 90267191
3,6-dibromo-9-phenylcarbazole;9-phenyl-3,6-bis[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]carbazole
CID 157457709
5-bromo-1-methyl-3-pyridin-2-ylindazole
CID 86700226
2-bromo-9-[4-(3,5-dipyridin-2-ylphenyl)phenyl]carbazole
CID 118587038
10,19-diphenyl-23-(3-pyridin-2-ylphenyl)-10,19,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,20-decaene
CID 90267588
benzene;N-naphthalen-2-yl-1-phenyl-N-(4-pyridin-2-ylphenyl)indol-4-amine;6-phenyl-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),7,13,15,17,19-nonaene;6-phenyl-11-(4-pyridin-3-yl-2-pyridinyl)-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),7,13,15,17,19-nonaene;6-phenyl-11-(2-pyridin-3-ylpyrimidin-4-yl)-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),7,13,15,17,19-nonaene
CID 158627361

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-(3-pyridin-2-ylphenyl)-10H-pyrrolo[3,2-a]carbazole?
The IUPAC name of 7-bromo-3-(3-pyridin-2-ylphenyl)-10H-pyrrolo[3,2-a]carbazole (CID 90062469) is 7-bromo-3-(3-pyridin-2-ylphenyl)-10H-pyrrolo[3,2-a]carbazole.
What is the SMILES notation for 7-bromo-3-(3-pyridin-2-ylphenyl)-10H-pyrrolo[3,2-a]carbazole?
The canonical SMILES for 7-bromo-3-(3-pyridin-2-ylphenyl)-10H-pyrrolo[3,2-a]carbazole is Brc1ccc2[nH]c3c(ccc4c3ccn4-c3cccc(-c4ccccn4)c3)c2c1.
What is the InChIKey of 7-bromo-3-(3-pyridin-2-ylphenyl)-10H-pyrrolo[3,2-a]carbazole?
The InChIKey is DXNSNFBQBYVFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16BrN3/c26-17-7-9-23-21(15-17)19-8-10-24-20(25(19)28-23)11-13-29(24)18-5-3-4-16(14-18)22-6-1-2-12-27-22/h1-15,28H.
What are the key properties of 7-bromo-3-(3-pyridin-2-ylphenyl)-10H-pyrrolo[3,2-a]carbazole?
7-bromo-3-(3-pyridin-2-ylphenyl)-10H-pyrrolo[3,2-a]carbazole has a molecular weight of 438.33 g/mol, XLogP of 7.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-(3-pyridin-2-ylphenyl)-10H-pyrrolo[3,2-a]carbazole is sourced from PubChem (CID 90062469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).