3,3-bis(3-bromopropyl)-4,9-dihydrocarbazole

C18H21Br2N — CID 174721399

IUPAC3,3-bis(3-bromopropyl)-4,9-dihydrocarbazole
SMILESBrCCCC1(CCCBr)C=Cc2[nH]c3ccccc3c2C1
InChIInChI=1S/C18H21Br2N/c19-11-3-8-18(9-4-12-20)10-7-17-15(13-18)14-5-1-2-6-16(14)21-17/h1-2,5-7,10,21H,3-4,8-9,11-13H2
InChIKeyIXLSHLDFOTYCRA-UHFFFAOYSA-N
MW411.18 g/mol
LogP6.07
Rot. Bonds6

About 3,3-bis(3-bromopropyl)-4,9-dihydrocarbazole

3,3-bis(3-bromopropyl)-4,9-dihydrocarbazole (PubChem CID 174721399) has the molecular formula C18H21Br2N and a molecular weight of 411.18 g/mol. Its IUPAC name is 3,3-bis(3-bromopropyl)-4,9-dihydrocarbazole.

Molecular Properties

Compound Name3,3-bis(3-bromopropyl)-4,9-dihydrocarbazole
PubChem CID174721399
Molecular FormulaC18H21Br2N
Molecular Weight411.18 g/mol
Exact Mass409.00
IUPAC Name3,3-bis(3-bromopropyl)-4,9-dihydrocarbazole
SMILESBrCCCC1(CCCBr)C=Cc2[nH]c3ccccc3c2C1
InChIInChI=1S/C18H21Br2N/c19-11-3-8-18(9-4-12-20)10-7-17-15(13-18)14-5-1-2-6-16(14)21-17/h1-2,5-7,10,21H,3-4,8-9,11-13H2
InChIKeyIXLSHLDFOTYCRA-UHFFFAOYSA-N
XLogP6.07
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.18
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,3-dibenzyl-4,9-dihydrocarbazole
CID 174416262
2,5-dihydro-1H-pyrido[4,3-b]indole
CID 68923227
3-bromo-4,9-dihydro-3H-carbazole
CID 66807686
3-(3-bromopropyl)-9H-carbazole
CID 174889385
2,2-dibenzyl-1,9-dihydrocarbazole
CID 174262331
5,10-dihydroindeno[1,2-b]indole;ethane
CID 143208166
9H-carbazole;ethane
CID 91098062
bis(9H-carbazole);ethane
CID 145072085
(Z)-N-[(Z)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino]-2,3,4,9-tetrahydrocarbazol-1-imine
CID 135400598
CID 131863122
CID 131863122
9H-carbazole
CID 66668984
2-prop-2-enyl-4,9-dihydro-3H-pyrido[3,4-b]indol-2-ium
CID 66560100

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(3-bromopropyl)-4,9-dihydrocarbazole?
The IUPAC name of 3,3-bis(3-bromopropyl)-4,9-dihydrocarbazole (CID 174721399) is 3,3-bis(3-bromopropyl)-4,9-dihydrocarbazole.
What is the SMILES notation for 3,3-bis(3-bromopropyl)-4,9-dihydrocarbazole?
The canonical SMILES for 3,3-bis(3-bromopropyl)-4,9-dihydrocarbazole is BrCCCC1(CCCBr)C=Cc2[nH]c3ccccc3c2C1.
What is the InChIKey of 3,3-bis(3-bromopropyl)-4,9-dihydrocarbazole?
The InChIKey is IXLSHLDFOTYCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Br2N/c19-11-3-8-18(9-4-12-20)10-7-17-15(13-18)14-5-1-2-6-16(14)21-17/h1-2,5-7,10,21H,3-4,8-9,11-13H2.
What are the key properties of 3,3-bis(3-bromopropyl)-4,9-dihydrocarbazole?
3,3-bis(3-bromopropyl)-4,9-dihydrocarbazole has a molecular weight of 411.18 g/mol, XLogP of 6.07, 6 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(3-bromopropyl)-4,9-dihydrocarbazole is sourced from PubChem (CID 174721399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).