2-[2,8-dibromo-6-(2-hydroxyphenyl)-5,6,11,12-tetrahydroindolo[3,2-b]carbazol-12-yl]phenol

C30H20Br2N2O2 — CID 174178985

IUPAC2-[2,8-dibromo-6-(2-hydroxyphenyl)-5,6,11,12-tetrahydroindolo[3,2-b]carbazol-12-yl]phenol
SMILESOc1ccccc1C1c2[nH]c3ccc(Br)cc3c2C(c2ccccc2O)c2[nH]c3ccc(Br)cc3c21
InChIInChI=1S/C30H20Br2N2O2/c31-15-9-11-21-19(13-15)27-25(17-5-1-3-7-23(17)35)29-28(20-14-16(32)10-12-22(20)33-29)26(30(27)34-21)18-6-2-4-8-24(18)36/h1-14,25-26,33-36H
InChIKeyAIZUOUORIHOHIC-UHFFFAOYSA-N
MW600.31 g/mol
LogP8.26
Rot. Bonds2

About 2-[2,8-dibromo-6-(2-hydroxyphenyl)-5,6,11,12-tetrahydroindolo[3,2-b]carbazol-12-yl]phenol

2-[2,8-dibromo-6-(2-hydroxyphenyl)-5,6,11,12-tetrahydroindolo[3,2-b]carbazol-12-yl]phenol (PubChem CID 174178985) has the molecular formula C30H20Br2N2O2 and a molecular weight of 600.31 g/mol. Its IUPAC name is 2-[2,8-dibromo-6-(2-hydroxyphenyl)-5,6,11,12-tetrahydroindolo[3,2-b]carbazol-12-yl]phenol.

Molecular Properties

Compound Name2-[2,8-dibromo-6-(2-hydroxyphenyl)-5,6,11,12-tetrahydroindolo[3,2-b]carbazol-12-yl]phenol
PubChem CID174178985
Molecular FormulaC30H20Br2N2O2
Molecular Weight600.31 g/mol
Exact Mass597.99
IUPAC Name2-[2,8-dibromo-6-(2-hydroxyphenyl)-5,6,11,12-tetrahydroindolo[3,2-b]carbazol-12-yl]phenol
SMILESOc1ccccc1C1c2[nH]c3ccc(Br)cc3c2C(c2ccccc2O)c2[nH]c3ccc(Br)cc3c21
InChIInChI=1S/C30H20Br2N2O2/c31-15-9-11-21-19(13-15)27-25(17-5-1-3-7-23(17)35)29-28(20-14-16(32)10-12-22(20)33-29)26(30(27)34-21)18-6-2-4-8-24(18)36/h1-14,25-26,33-36H
InChIKeyAIZUOUORIHOHIC-UHFFFAOYSA-N
XLogP8.26
TPSA72.04 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.31
LogP ≤ 58.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Analyze 2-[2,8-dibromo-6-(2-hydroxyphenyl)-5,6,11,12-tetrahydroindolo[3,2-b]carbazol-12-yl]phenol with MolForge

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Related Compounds

Sorazolon E2
CID 14526486
4-[bis(5-bromo-1H-indol-3-yl)methyl]phenol
CID 73346255
4-[bis(5-bromo-1H-indol-3-yl)methyl]benzene-1,3-diol
CID 86276283
2-Bromo-6-(di(1H-indol-3-yl)methyl)phenol
CID 163196463
3-[bis(5-bromo-1H-indol-3-yl)methyl]phenol
CID 73356900
4-Bromo-2-(di(1h-indol-3-yl)methyl)phenol
CID 54753785
2-[bis(1H-indol-3-yl)methyl]-4-bromo-5-fluorophenol
CID 168281138
Phenol, 2-[bis(2-methyl-1H-indol-3-yl)methyl]-
CID 305291
[4,4'-Bi-9H-carbazole]-3,3'-diol
CID 10959441
4-[bis(2-phenyl-1H-indol-3-yl)methyl]phenol
CID 2851372
6,12-Bis(4-fluorophenyl)-5,6,11,12-tetrahydroindolo[3,2-b]carbazole-2,8-diol
CID 174178960
6,12-Bis(4-fluorophenyl)-5,11-dihydroindolo[3,2-b]carbazole-2,8-diol
CID 174178962

Frequently Asked Questions

What is the IUPAC name of 2-[2,8-dibromo-6-(2-hydroxyphenyl)-5,6,11,12-tetrahydroindolo[3,2-b]carbazol-12-yl]phenol?
The IUPAC name of 2-[2,8-dibromo-6-(2-hydroxyphenyl)-5,6,11,12-tetrahydroindolo[3,2-b]carbazol-12-yl]phenol (CID 174178985) is 2-[2,8-dibromo-6-(2-hydroxyphenyl)-5,6,11,12-tetrahydroindolo[3,2-b]carbazol-12-yl]phenol.
What is the SMILES notation for 2-[2,8-dibromo-6-(2-hydroxyphenyl)-5,6,11,12-tetrahydroindolo[3,2-b]carbazol-12-yl]phenol?
The canonical SMILES for 2-[2,8-dibromo-6-(2-hydroxyphenyl)-5,6,11,12-tetrahydroindolo[3,2-b]carbazol-12-yl]phenol is Oc1ccccc1C1c2[nH]c3ccc(Br)cc3c2C(c2ccccc2O)c2[nH]c3ccc(Br)cc3c21.
What is the InChIKey of 2-[2,8-dibromo-6-(2-hydroxyphenyl)-5,6,11,12-tetrahydroindolo[3,2-b]carbazol-12-yl]phenol?
The InChIKey is AIZUOUORIHOHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20Br2N2O2/c31-15-9-11-21-19(13-15)27-25(17-5-1-3-7-23(17)35)29-28(20-14-16(32)10-12-22(20)33-29)26(30(27)34-21)18-6-2-4-8-24(18)36/h1-14,25-26,33-36H.
What are the key properties of 2-[2,8-dibromo-6-(2-hydroxyphenyl)-5,6,11,12-tetrahydroindolo[3,2-b]carbazol-12-yl]phenol?
2-[2,8-dibromo-6-(2-hydroxyphenyl)-5,6,11,12-tetrahydroindolo[3,2-b]carbazol-12-yl]phenol has a molecular weight of 600.31 g/mol, XLogP of 8.26, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,8-dibromo-6-(2-hydroxyphenyl)-5,6,11,12-tetrahydroindolo[3,2-b]carbazol-12-yl]phenol is sourced from PubChem (CID 174178985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).