2,8-dibromo-5,11-dihexyl-6,12-diphenylindolo[3,2-b]carbazole

C42H42Br2N2 — CID 56851506

IUPAC2,8-dibromo-5,11-dihexyl-6,12-diphenylindolo[3,2-b]carbazole
SMILESCCCCCCn1c2ccc(Br)cc2c2c(-c3ccccc3)c3c(c(-c4ccccc4)c21)c1cc(Br)ccc1n3CCCCCC
InChIInChI=1S/C42H42Br2N2/c1-3-5-7-15-25-45-35-23-21-31(43)27-33(35)39-38(30-19-13-10-14-20-30)42-40(37(41(39)45)29-17-11-9-12-18-29)34-28-32(44)22-24-36(34)46(42)26-16-8-6-4-2/h9-14,17-24,27-28H,3-8,15-16,25-26H2,1-2H3
InChIKeyNDBVUCBRTRNJHL-UHFFFAOYSA-N
MW734.62 g/mol
LogP13.92
Rot. Bonds12

About 2,8-dibromo-5,11-dihexyl-6,12-diphenylindolo[3,2-b]carbazole

2,8-dibromo-5,11-dihexyl-6,12-diphenylindolo[3,2-b]carbazole (PubChem CID 56851506) has the molecular formula C42H42Br2N2 and a molecular weight of 734.62 g/mol. Its IUPAC name is 2,8-dibromo-5,11-dihexyl-6,12-diphenylindolo[3,2-b]carbazole.

Molecular Properties

Compound Name2,8-dibromo-5,11-dihexyl-6,12-diphenylindolo[3,2-b]carbazole
PubChem CID56851506
Molecular FormulaC42H42Br2N2
Molecular Weight734.62 g/mol
Exact Mass732.17
IUPAC Name2,8-dibromo-5,11-dihexyl-6,12-diphenylindolo[3,2-b]carbazole
SMILESCCCCCCn1c2ccc(Br)cc2c2c(-c3ccccc3)c3c(c(-c4ccccc4)c21)c1cc(Br)ccc1n3CCCCCC
InChIInChI=1S/C42H42Br2N2/c1-3-5-7-15-25-45-35-23-21-31(43)27-33(35)39-38(30-19-13-10-14-20-30)42-40(37(41(39)45)29-17-11-9-12-18-29)34-28-32(44)22-24-36(34)46(42)26-16-8-6-4-2/h9-14,17-24,27-28H,3-8,15-16,25-26H2,1-2H3
InChIKeyNDBVUCBRTRNJHL-UHFFFAOYSA-N
XLogP13.92
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.62
LogP ≤ 513.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(6-bromo-9-hexylcarbazol-1-yl)aniline
CID 174702523
3-bromo-6-[(E)-2-(6-bromo-9-hexylcarbazol-3-yl)ethenyl]-9-hexylcarbazole
CID 139088492
2,7-dibromo-9-tetracontylcarbazole
CID 141357666
1-(6-bromo-9-ethyl-1,2-diphenylpyrrolo[3,2-b]carbazol-3-yl)ethanone
CID 102336520
2-(6-bromo-9-butylcarbazol-1-yl)aniline
CID 174689611
benzene;9-octylcarbazole
CID 175067369
2,7-dibromo-10-butylacridin-9-one
CID 86036844
1-bromo-9-heptadecylcarbazole
CID 174836685
6-bromo-1-pentylquinazoline-2,4-dione
CID 141462501
3,6-dibromo-9-(2,3,4,5,6-pentakis-phenylphenyl)carbazole
CID 87510706
3,11,19-trioctyl-3,11,19-triazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene
CID 132584282
4-[9-dodecyl-6,8-bis[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline
CID 102495876

Frequently Asked Questions

What is the IUPAC name of 2,8-dibromo-5,11-dihexyl-6,12-diphenylindolo[3,2-b]carbazole?
The IUPAC name of 2,8-dibromo-5,11-dihexyl-6,12-diphenylindolo[3,2-b]carbazole (CID 56851506) is 2,8-dibromo-5,11-dihexyl-6,12-diphenylindolo[3,2-b]carbazole.
What is the SMILES notation for 2,8-dibromo-5,11-dihexyl-6,12-diphenylindolo[3,2-b]carbazole?
The canonical SMILES for 2,8-dibromo-5,11-dihexyl-6,12-diphenylindolo[3,2-b]carbazole is CCCCCCn1c2ccc(Br)cc2c2c(-c3ccccc3)c3c(c(-c4ccccc4)c21)c1cc(Br)ccc1n3CCCCCC.
What is the InChIKey of 2,8-dibromo-5,11-dihexyl-6,12-diphenylindolo[3,2-b]carbazole?
The InChIKey is NDBVUCBRTRNJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H42Br2N2/c1-3-5-7-15-25-45-35-23-21-31(43)27-33(35)39-38(30-19-13-10-14-20-30)42-40(37(41(39)45)29-17-11-9-12-18-29)34-28-32(44)22-24-36(34)46(42)26-16-8-6-4-2/h9-14,17-24,27-28H,3-8,15-16,25-26H2,1-2H3.
What are the key properties of 2,8-dibromo-5,11-dihexyl-6,12-diphenylindolo[3,2-b]carbazole?
2,8-dibromo-5,11-dihexyl-6,12-diphenylindolo[3,2-b]carbazole has a molecular weight of 734.62 g/mol, XLogP of 13.92, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dibromo-5,11-dihexyl-6,12-diphenylindolo[3,2-b]carbazole is sourced from PubChem (CID 56851506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).