9-(4-carbazol-9-ylbutyl)-3,6-dimethylcarbazole

C30H28N2 — CID 58771349

IUPAC9-(4-carbazol-9-ylbutyl)-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2CCCCn1c2ccccc2c2ccccc21
InChIInChI=1S/C30H28N2/c1-21-13-15-29-25(19-21)26-20-22(2)14-16-30(26)32(29)18-8-7-17-31-27-11-5-3-9-23(27)24-10-4-6-12-28(24)31/h3-6,9-16,19-20H,7-8,17-18H2,1-2H3
InChIKeyLIXBSKDRCAYCBI-UHFFFAOYSA-N
MW416.57 g/mol
LogP8.00
Rot. Bonds5

About 9-(4-carbazol-9-ylbutyl)-3,6-dimethylcarbazole

9-(4-carbazol-9-ylbutyl)-3,6-dimethylcarbazole (PubChem CID 58771349) has the molecular formula C30H28N2 and a molecular weight of 416.57 g/mol. Its IUPAC name is 9-(4-carbazol-9-ylbutyl)-3,6-dimethylcarbazole.

Molecular Properties

Compound Name9-(4-carbazol-9-ylbutyl)-3,6-dimethylcarbazole
PubChem CID58771349
Molecular FormulaC30H28N2
Molecular Weight416.57 g/mol
Exact Mass416.23
IUPAC Name9-(4-carbazol-9-ylbutyl)-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2CCCCn1c2ccccc2c2ccccc21
InChIInChI=1S/C30H28N2/c1-21-13-15-29-25(19-21)26-20-22(2)14-16-30(26)32(29)18-8-7-17-31-27-11-5-3-9-23(27)24-10-4-6-12-28(24)31/h3-6,9-16,19-20H,7-8,17-18H2,1-2H3
InChIKeyLIXBSKDRCAYCBI-UHFFFAOYSA-N
XLogP8.00
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.57
LogP ≤ 58.00
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-methylnaphthalene;3-methyl-9-octylcarbazole
CID 167681483
3-(3,6-dimethylcarbazol-9-yl)propan-1-amine
CID 58183726
3-iodo-9-[6-(3-iodocarbazol-9-yl)hexyl]carbazole
CID 69197277
16,20-dimethyl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene
CID 164939565
9-(5-carbazol-9-ylpentyl)-3,3,6-trimethyl-4H-carbazole
CID 142977873
9-hexadecylcarbazole
CID 4166588
9-docosylcarbazole
CID 10528568
3-methyl-9-oxidocarbazole
CID 166517305
benzene;9-octylcarbazole
CID 175067369
9-(4-methylsulfanylbutyl)carbazole
CID 177244640
9-ethyl-2-methylcarbazole
CID 19788789
N-(9-ethylcarbazol-3-yl)-4-(2-methyl-9-oxoacridin-10-yl)butanamide
CID 22330387

Frequently Asked Questions

What is the IUPAC name of 9-(4-carbazol-9-ylbutyl)-3,6-dimethylcarbazole?
The IUPAC name of 9-(4-carbazol-9-ylbutyl)-3,6-dimethylcarbazole (CID 58771349) is 9-(4-carbazol-9-ylbutyl)-3,6-dimethylcarbazole.
What is the SMILES notation for 9-(4-carbazol-9-ylbutyl)-3,6-dimethylcarbazole?
The canonical SMILES for 9-(4-carbazol-9-ylbutyl)-3,6-dimethylcarbazole is Cc1ccc2c(c1)c1cc(C)ccc1n2CCCCn1c2ccccc2c2ccccc21.
What is the InChIKey of 9-(4-carbazol-9-ylbutyl)-3,6-dimethylcarbazole?
The InChIKey is LIXBSKDRCAYCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2/c1-21-13-15-29-25(19-21)26-20-22(2)14-16-30(26)32(29)18-8-7-17-31-27-11-5-3-9-23(27)24-10-4-6-12-28(24)31/h3-6,9-16,19-20H,7-8,17-18H2,1-2H3.
What are the key properties of 9-(4-carbazol-9-ylbutyl)-3,6-dimethylcarbazole?
9-(4-carbazol-9-ylbutyl)-3,6-dimethylcarbazole has a molecular weight of 416.57 g/mol, XLogP of 8.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-carbazol-9-ylbutyl)-3,6-dimethylcarbazole is sourced from PubChem (CID 58771349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).