7-bromo-9-(6-carbazol-9-ylhexyl)carbazol-2-amine

C30H28BrN3 — CID 53338588

IUPAC7-bromo-9-(6-carbazol-9-ylhexyl)carbazol-2-amine
SMILESNc1ccc2c3ccc(Br)cc3n(CCCCCCn3c4ccccc4c4ccccc43)c2c1
InChIInChI=1S/C30H28BrN3/c31-21-13-15-25-26-16-14-22(32)20-30(26)34(29(25)19-21)18-8-2-1-7-17-33-27-11-5-3-9-23(27)24-10-4-6-12-28(24)33/h3-6,9-16,19-20H,1-2,7-8,17-18,32H2
InChIKeyWCMAXDXZKKSMDN-UHFFFAOYSA-N
MW510.48 g/mol
LogP8.51
Rot. Bonds7

About 7-bromo-9-(6-carbazol-9-ylhexyl)carbazol-2-amine

7-bromo-9-(6-carbazol-9-ylhexyl)carbazol-2-amine (PubChem CID 53338588) has the molecular formula C30H28BrN3 and a molecular weight of 510.48 g/mol. Its IUPAC name is 7-bromo-9-(6-carbazol-9-ylhexyl)carbazol-2-amine.

Molecular Properties

Compound Name7-bromo-9-(6-carbazol-9-ylhexyl)carbazol-2-amine
PubChem CID53338588
Molecular FormulaC30H28BrN3
Molecular Weight510.48 g/mol
Exact Mass509.15
IUPAC Name7-bromo-9-(6-carbazol-9-ylhexyl)carbazol-2-amine
SMILESNc1ccc2c3ccc(Br)cc3n(CCCCCCn3c4ccccc4c4ccccc43)c2c1
InChIInChI=1S/C30H28BrN3/c31-21-13-15-25-26-16-14-22(32)20-30(26)34(29(25)19-21)18-8-2-1-7-17-33-27-11-5-3-9-23(27)24-10-4-6-12-28(24)33/h3-6,9-16,19-20H,1-2,7-8,17-18,32H2
InChIKeyWCMAXDXZKKSMDN-UHFFFAOYSA-N
XLogP8.51
TPSA35.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.48
LogP ≤ 58.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-9-(6-carbazol-9-ylhexyl)carbazol-2-amine?
The IUPAC name of 7-bromo-9-(6-carbazol-9-ylhexyl)carbazol-2-amine (CID 53338588) is 7-bromo-9-(6-carbazol-9-ylhexyl)carbazol-2-amine.
What is the SMILES notation for 7-bromo-9-(6-carbazol-9-ylhexyl)carbazol-2-amine?
The canonical SMILES for 7-bromo-9-(6-carbazol-9-ylhexyl)carbazol-2-amine is Nc1ccc2c3ccc(Br)cc3n(CCCCCCn3c4ccccc4c4ccccc43)c2c1.
What is the InChIKey of 7-bromo-9-(6-carbazol-9-ylhexyl)carbazol-2-amine?
The InChIKey is WCMAXDXZKKSMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28BrN3/c31-21-13-15-25-26-16-14-22(32)20-30(26)34(29(25)19-21)18-8-2-1-7-17-33-27-11-5-3-9-23(27)24-10-4-6-12-28(24)33/h3-6,9-16,19-20H,1-2,7-8,17-18,32H2.
What are the key properties of 7-bromo-9-(6-carbazol-9-ylhexyl)carbazol-2-amine?
7-bromo-9-(6-carbazol-9-ylhexyl)carbazol-2-amine has a molecular weight of 510.48 g/mol, XLogP of 8.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-9-(6-carbazol-9-ylhexyl)carbazol-2-amine is sourced from PubChem (CID 53338588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).