3,6-dibutyl-9-[[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methyl]carbazole

C37H51N — CID 145126191

IUPAC3,6-dibutyl-9-[[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methyl]carbazole
SMILESCCCCc1ccc2c(c1)c1cc(CCCC)ccc1n2Cc1ccc(C(CC(C)(C)C)C(C)(C)C)cc1
InChIInChI=1S/C37H51N/c1-9-11-13-27-17-21-34-31(23-27)32-24-28(14-12-10-2)18-22-35(32)38(34)26-29-15-19-30(20-16-29)33(37(6,7)8)25-36(3,4)5/h15-24,33H,9-14,25-26H2,1-8H3
InChIKeyHTDPLZHZJWUNRZ-UHFFFAOYSA-N
MW509.82 g/mol
LogP11.09
Rot. Bonds10

About 3,6-dibutyl-9-[[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methyl]carbazole

3,6-dibutyl-9-[[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methyl]carbazole (PubChem CID 145126191) has the molecular formula C37H51N and a molecular weight of 509.82 g/mol. Its IUPAC name is 3,6-dibutyl-9-[[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methyl]carbazole.

Molecular Properties

Compound Name3,6-dibutyl-9-[[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methyl]carbazole
PubChem CID145126191
Molecular FormulaC37H51N
Molecular Weight509.82 g/mol
Exact Mass509.40
IUPAC Name3,6-dibutyl-9-[[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methyl]carbazole
SMILESCCCCc1ccc2c(c1)c1cc(CCCC)ccc1n2Cc1ccc(C(CC(C)(C)C)C(C)(C)C)cc1
InChIInChI=1S/C37H51N/c1-9-11-13-27-17-21-34-31(23-27)32-24-28(14-12-10-2)18-22-35(32)38(34)26-29-15-19-30(20-16-29)33(37(6,7)8)25-36(3,4)5/h15-24,33H,9-14,25-26H2,1-8H3
InChIKeyHTDPLZHZJWUNRZ-UHFFFAOYSA-N
XLogP11.09
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.82
LogP ≤ 511.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,6-dibutyl-9-[[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methyl]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(bromomethyl)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 123665434
ethane;[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methanamine
CID 143183625
2,2,5,5-tetramethylhexan-3-ylbenzene
CID 546256
1-methoxy-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 67966968
9-[[4-[(3,6-dimethylcarbazol-9-yl)methyl]phenyl]methyl]-3,6-dimethylcarbazole
CID 58883537
9-[(4-bromophenyl)methyl]-6-butyl-3,4-dihydro-2H-pyrido[3,4-b]indol-1-one
CID 91603662
1-(4-butylphenyl)-N,3,5,5-tetramethylhexan-1-amine
CID 63508379
1-[(4-butylphenyl)-chloromethyl]-3,5-dimethylbenzene
CID 63431301
2-[6-(2-aminoethyl)-9-(2-ethylhexyl)carbazol-3-yl]ethanamine
CID 170887976
CID 174005636
CID 174005636
3,6-dibutyl-9-[4-[2-(3,6-dibutylcarbazol-9-yl)-4-pyridinyl]-2-pyridinyl]carbazole
CID 146355720
bis(4-butylphenyl)methylphosphane
CID 90110025

Frequently Asked Questions

What is the IUPAC name of 3,6-dibutyl-9-[[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methyl]carbazole?
The IUPAC name of 3,6-dibutyl-9-[[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methyl]carbazole (CID 145126191) is 3,6-dibutyl-9-[[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methyl]carbazole.
What is the SMILES notation for 3,6-dibutyl-9-[[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methyl]carbazole?
The canonical SMILES for 3,6-dibutyl-9-[[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methyl]carbazole is CCCCc1ccc2c(c1)c1cc(CCCC)ccc1n2Cc1ccc(C(CC(C)(C)C)C(C)(C)C)cc1.
What is the InChIKey of 3,6-dibutyl-9-[[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methyl]carbazole?
The InChIKey is HTDPLZHZJWUNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H51N/c1-9-11-13-27-17-21-34-31(23-27)32-24-28(14-12-10-2)18-22-35(32)38(34)26-29-15-19-30(20-16-29)33(37(6,7)8)25-36(3,4)5/h15-24,33H,9-14,25-26H2,1-8H3.
What are the key properties of 3,6-dibutyl-9-[[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methyl]carbazole?
3,6-dibutyl-9-[[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methyl]carbazole has a molecular weight of 509.82 g/mol, XLogP of 11.09, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibutyl-9-[[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methyl]carbazole is sourced from PubChem (CID 145126191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).