8-bromo-5-[3-(8-bromopyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole

C28H16Br2N4 — CID 118000291

IUPAC8-bromo-5-[3-(8-bromopyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole
SMILESBrc1ccc2c(c1)c1ncccc1n2-c1cccc(-n2c3ccc(Br)cc3c3ncccc32)c1
InChIInChI=1S/C28H16Br2N4/c29-17-8-10-23-21(14-17)27-25(6-2-12-31-27)33(23)19-4-1-5-20(16-19)34-24-11-9-18(30)15-22(24)28-26(34)7-3-13-32-28/h1-16H
InChIKeyHIPNWJZSWGOIBB-UHFFFAOYSA-N
MW568.27 g/mol
LogP8.20
Rot. Bonds2

About 8-bromo-5-[3-(8-bromopyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole

8-bromo-5-[3-(8-bromopyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole (PubChem CID 118000291) has the molecular formula C28H16Br2N4 and a molecular weight of 568.27 g/mol. Its IUPAC name is 8-bromo-5-[3-(8-bromopyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole.

Molecular Properties

Compound Name8-bromo-5-[3-(8-bromopyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole
PubChem CID118000291
Molecular FormulaC28H16Br2N4
Molecular Weight568.27 g/mol
Exact Mass565.97
IUPAC Name8-bromo-5-[3-(8-bromopyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole
SMILESBrc1ccc2c(c1)c1ncccc1n2-c1cccc(-n2c3ccc(Br)cc3c3ncccc32)c1
InChIInChI=1S/C28H16Br2N4/c29-17-8-10-23-21(14-17)27-25(6-2-12-31-27)33(23)19-4-1-5-20(16-19)34-24-11-9-18(30)15-22(24)28-26(34)7-3-13-32-28/h1-16H
InChIKeyHIPNWJZSWGOIBB-UHFFFAOYSA-N
XLogP8.20
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.27
LogP ≤ 58.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-bromo-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrido[3,2-b]indole
CID 118586796
diphenyl-bis[3-(8-triphenylsilylpyrido[3,2-b]indol-5-yl)phenyl]silane
CID 90193795
8-[5-[5-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-3-pyridinyl]pyrido[3,2-b]indol-8-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 118517417
2-tert-butyl-5-(3-pyrido[3,2-b]indol-5-ylphenyl)pyrido[3,2-b]indole
CID 67988496
5-[3-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]phenyl]-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole;ethene
CID 144612501
5-[3,5-bis(ethenyl)phenyl]-8-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)pyrido[3,2-b]indole
CID 134274167
1-[3-[8-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)pyrido[3,2-b]indol-5-yl]phenyl]tetrazole-5-thiol
CID 137305760
6-(3-pyridin-3-ylphenyl)-9-[3-(8-pyridin-3-ylpyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,4-b]indole
CID 118069035
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
diphenyl-(4-phenylphenyl)-(5-phenylpyrido[3,2-b]indol-8-yl)silane
CID 159265035
5-phenyl-8-(9-phenylcarbazol-1-yl)pyrido[3,2-b]indole
CID 129221488
8-(2-methylimidazol-1-yl)-5-(5-phenylpyrido[3,2-b]indol-8-yl)pyrido[3,2-b]indole
CID 139496528

Frequently Asked Questions

What is the IUPAC name of 8-bromo-5-[3-(8-bromopyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole?
The IUPAC name of 8-bromo-5-[3-(8-bromopyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole (CID 118000291) is 8-bromo-5-[3-(8-bromopyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole.
What is the SMILES notation for 8-bromo-5-[3-(8-bromopyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole?
The canonical SMILES for 8-bromo-5-[3-(8-bromopyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole is Brc1ccc2c(c1)c1ncccc1n2-c1cccc(-n2c3ccc(Br)cc3c3ncccc32)c1.
What is the InChIKey of 8-bromo-5-[3-(8-bromopyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole?
The InChIKey is HIPNWJZSWGOIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H16Br2N4/c29-17-8-10-23-21(14-17)27-25(6-2-12-31-27)33(23)19-4-1-5-20(16-19)34-24-11-9-18(30)15-22(24)28-26(34)7-3-13-32-28/h1-16H.
What are the key properties of 8-bromo-5-[3-(8-bromopyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole?
8-bromo-5-[3-(8-bromopyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole has a molecular weight of 568.27 g/mol, XLogP of 8.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-5-[3-(8-bromopyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole is sourced from PubChem (CID 118000291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).