11-(2-methylhexyl)benzo[a]carbazole

C23H25N — CID 170243502

IUPAC11-(2-methylhexyl)benzo[a]carbazole
SMILESCCCCC(C)Cn1c2ccccc2c2ccc3ccccc3c21
InChIInChI=1S/C23H25N/c1-3-4-9-17(2)16-24-22-13-8-7-12-20(22)21-15-14-18-10-5-6-11-19(18)23(21)24/h5-8,10-15,17H,3-4,9,16H2,1-2H3
InChIKeyGQZXRDOHBAHFQE-UHFFFAOYSA-N
MW315.46 g/mol
LogP6.77
Rot. Bonds5

About 11-(2-methylhexyl)benzo[a]carbazole

11-(2-methylhexyl)benzo[a]carbazole (PubChem CID 170243502) has the molecular formula C23H25N and a molecular weight of 315.46 g/mol. Its IUPAC name is 11-(2-methylhexyl)benzo[a]carbazole.

Molecular Properties

Compound Name11-(2-methylhexyl)benzo[a]carbazole
PubChem CID170243502
Molecular FormulaC23H25N
Molecular Weight315.46 g/mol
Exact Mass315.20
IUPAC Name11-(2-methylhexyl)benzo[a]carbazole
SMILESCCCCC(C)Cn1c2ccccc2c2ccc3ccccc3c21
InChIInChI=1S/C23H25N/c1-3-4-9-17(2)16-24-22-13-8-7-12-20(22)21-15-14-18-10-5-6-11-19(18)23(21)24/h5-8,10-15,17H,3-4,9,16H2,1-2H3
InChIKeyGQZXRDOHBAHFQE-UHFFFAOYSA-N
XLogP6.77
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.46
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-dibromo-9-(2-ethylhexyl)carbazole
CID 90003854
1-[11-(2-ethylhexyl)benzo[a]carbazol-8-yl]-3,5,5-trimethylhexan-1-one
CID 141364023
11-propan-2-ylbenzo[a]carbazole
CID 118058944
9,18-diethyl-9,18-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,19(28),20,22,24,26-tridecaene
CID 159952707
9-(3-ethoxy-2-methylpropyl)carbazole
CID 69165751
9-(2-decyltetradecyl)carbazole
CID 86094421
4,27-diethyl-4,27-diazaheptacyclo[15.11.0.02,14.03,11.05,10.020,28.021,26]octacosa-1(17),2(14),3(11),5,7,9,12,15,18,20(28),21,23,25-tridecaene
CID 177442338
(2R)-3-carbazol-9-yl-2-methylpropan-1-ol
CID 54249395
3-carbazol-9-yl-N,N-diethyl-2-methylpropan-1-amine
CID 100978350
9-hexadecylcarbazole
CID 4166588
9-docosylcarbazole
CID 10528568
12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-11-(2-ethylhexyl)indolo[2,3-a]carbazole
CID 58556520

Frequently Asked Questions

What is the IUPAC name of 11-(2-methylhexyl)benzo[a]carbazole?
The IUPAC name of 11-(2-methylhexyl)benzo[a]carbazole (CID 170243502) is 11-(2-methylhexyl)benzo[a]carbazole.
What is the SMILES notation for 11-(2-methylhexyl)benzo[a]carbazole?
The canonical SMILES for 11-(2-methylhexyl)benzo[a]carbazole is CCCCC(C)Cn1c2ccccc2c2ccc3ccccc3c21.
What is the InChIKey of 11-(2-methylhexyl)benzo[a]carbazole?
The InChIKey is GQZXRDOHBAHFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N/c1-3-4-9-17(2)16-24-22-13-8-7-12-20(22)21-15-14-18-10-5-6-11-19(18)23(21)24/h5-8,10-15,17H,3-4,9,16H2,1-2H3.
What are the key properties of 11-(2-methylhexyl)benzo[a]carbazole?
11-(2-methylhexyl)benzo[a]carbazole has a molecular weight of 315.46 g/mol, XLogP of 6.77, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2-methylhexyl)benzo[a]carbazole is sourced from PubChem (CID 170243502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).