1-[1-(2,7-dibromo-9H-fluoren-9-yl)octyl]-9H-carbazole

C33H31Br2N — CID 142667367

IUPAC1-[1-(2,7-dibromo-9H-fluoren-9-yl)octyl]-9H-carbazole
SMILESCCCCCCCC(c1cccc2c1[nH]c1ccccc12)C1c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C33H31Br2N/c1-2-3-4-5-6-11-26(28-13-9-12-27-25-10-7-8-14-31(25)36-33(27)28)32-29-19-21(34)15-17-23(29)24-18-16-22(35)20-30(24)32/h7-10,12-20,26,32,36H,2-6,11H2,1H3
InChIKeyQWLRYZDRVSDEMN-UHFFFAOYSA-N
MW601.43 g/mol
LogP11.10
Rot. Bonds8

About 1-[1-(2,7-dibromo-9H-fluoren-9-yl)octyl]-9H-carbazole

1-[1-(2,7-dibromo-9H-fluoren-9-yl)octyl]-9H-carbazole (PubChem CID 142667367) has the molecular formula C33H31Br2N and a molecular weight of 601.43 g/mol. Its IUPAC name is 1-[1-(2,7-dibromo-9H-fluoren-9-yl)octyl]-9H-carbazole.

Molecular Properties

Compound Name1-[1-(2,7-dibromo-9H-fluoren-9-yl)octyl]-9H-carbazole
PubChem CID142667367
Molecular FormulaC33H31Br2N
Molecular Weight601.43 g/mol
Exact Mass599.08
IUPAC Name1-[1-(2,7-dibromo-9H-fluoren-9-yl)octyl]-9H-carbazole
SMILESCCCCCCCC(c1cccc2c1[nH]c1ccccc12)C1c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C33H31Br2N/c1-2-3-4-5-6-11-26(28-13-9-12-27-25-10-7-8-14-31(25)36-33(27)28)32-29-19-21(34)15-17-23(29)24-18-16-22(35)20-30(24)32/h7-10,12-20,26,32,36H,2-6,11H2,1H3
InChIKeyQWLRYZDRVSDEMN-UHFFFAOYSA-N
XLogP11.10
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.43
LogP ≤ 511.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-heptadecan-9-yl-9H-carbazole
CID 132513625
1-undecan-2-yl-9H-carbazole
CID 173176720
2-[2-(9H-carbazol-1-yl)ethyl]undecan-1-ol
CID 164577577
1-nonyl-9H-carbazole
CID 66872642
1-(7-bromonaphthalen-1-yl)hexan-1-ol
CID 102243585
1-[3-(4-bromophenyl)-5-(9H-carbazol-1-yl)phenyl]-9H-carbazole
CID 67532426
1-(2-octoxyphenyl)-9H-carbazole
CID 174629986
1-tetracosan-9-ylnaphthalene
CID 175897855
1-hexadecan-6-ylnaphthalene
CID 14029925
9H-carbazole;3,6-dibromo-9H-carbazole
CID 159453130
1-butyl-9H-carbazole;phosphane;hydrate
CID 174715058
9-heptadecan-9-yl-2,7-dimethyl-9H-fluorene
CID 158260955

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,7-dibromo-9H-fluoren-9-yl)octyl]-9H-carbazole?
The IUPAC name of 1-[1-(2,7-dibromo-9H-fluoren-9-yl)octyl]-9H-carbazole (CID 142667367) is 1-[1-(2,7-dibromo-9H-fluoren-9-yl)octyl]-9H-carbazole.
What is the SMILES notation for 1-[1-(2,7-dibromo-9H-fluoren-9-yl)octyl]-9H-carbazole?
The canonical SMILES for 1-[1-(2,7-dibromo-9H-fluoren-9-yl)octyl]-9H-carbazole is CCCCCCCC(c1cccc2c1[nH]c1ccccc12)C1c2cc(Br)ccc2-c2ccc(Br)cc21.
What is the InChIKey of 1-[1-(2,7-dibromo-9H-fluoren-9-yl)octyl]-9H-carbazole?
The InChIKey is QWLRYZDRVSDEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31Br2N/c1-2-3-4-5-6-11-26(28-13-9-12-27-25-10-7-8-14-31(25)36-33(27)28)32-29-19-21(34)15-17-23(29)24-18-16-22(35)20-30(24)32/h7-10,12-20,26,32,36H,2-6,11H2,1H3.
What are the key properties of 1-[1-(2,7-dibromo-9H-fluoren-9-yl)octyl]-9H-carbazole?
1-[1-(2,7-dibromo-9H-fluoren-9-yl)octyl]-9H-carbazole has a molecular weight of 601.43 g/mol, XLogP of 11.10, 8 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,7-dibromo-9H-fluoren-9-yl)octyl]-9H-carbazole is sourced from PubChem (CID 142667367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).