9-ethyl-4-[4-(5-phenylhexan-3-yl)phenyl]carbazole

C32H33N — CID 58569968

IUPAC9-ethyl-4-[4-(5-phenylhexan-3-yl)phenyl]carbazole
SMILESCCC(CC(C)c1ccccc1)c1ccc(-c2cccc3c2c2ccccc2n3CC)cc1
InChIInChI=1S/C32H33N/c1-4-24(22-23(3)25-12-7-6-8-13-25)26-18-20-27(21-19-26)28-15-11-17-31-32(28)29-14-9-10-16-30(29)33(31)5-2/h6-21,23-24H,4-5,22H2,1-3H3
InChIKeyCAUBQQHSYWQWNS-UHFFFAOYSA-N
MW431.62 g/mol
LogP9.17
Rot. Bonds7

About 9-ethyl-4-[4-(5-phenylhexan-3-yl)phenyl]carbazole

9-ethyl-4-[4-(5-phenylhexan-3-yl)phenyl]carbazole (PubChem CID 58569968) has the molecular formula C32H33N and a molecular weight of 431.62 g/mol. Its IUPAC name is 9-ethyl-4-[4-(5-phenylhexan-3-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-ethyl-4-[4-(5-phenylhexan-3-yl)phenyl]carbazole
PubChem CID58569968
Molecular FormulaC32H33N
Molecular Weight431.62 g/mol
Exact Mass431.26
IUPAC Name9-ethyl-4-[4-(5-phenylhexan-3-yl)phenyl]carbazole
SMILESCCC(CC(C)c1ccccc1)c1ccc(-c2cccc3c2c2ccccc2n3CC)cc1
InChIInChI=1S/C32H33N/c1-4-24(22-23(3)25-12-7-6-8-13-25)26-18-20-27(21-19-26)28-15-11-17-31-32(28)29-14-9-10-16-30(29)33(31)5-2/h6-21,23-24H,4-5,22H2,1-3H3
InChIKeyCAUBQQHSYWQWNS-UHFFFAOYSA-N
XLogP9.17
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.62
LogP ≤ 59.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-butan-2-ylphenyl)-9-phenylcarbazole;methane
CID 162000855
9-ethyl-4-(4-triphenylen-2-ylphenyl)carbazole
CID 88924321
2-[4-[4-[5-(9-ethylcarbazol-3-yl)hexan-3-yl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 23522301
1-butan-2-yl-4-(4,6-diphenyloctan-2-yl)benzene
CID 23386381
N-[4-[4-[4-[5-(4-carbazol-9-ylphenyl)hexan-3-yl]-N-(3-methylphenyl)anilino]phenyl]phenyl]-3-methyl-N-phenylaniline
CID 59742237
butan-2-ylbenzene;9-ethyl-2-(4-phenylhexan-2-yl)carbazole;methane;tris(2-methylpyridine);9-(4-phenylhexan-2-yl)carbazole
CID 158846419
1-methoxy-4-(4-phenylhexan-2-yl)benzene
CID 134214893
3-butan-2-yl-9-ethylcarbazole
CID 23520664
1-(2,6-diphenyloctan-4-yl)-4-(3,6-diphenyloctan-4-yl)benzene
CID 143858458
4-(5-phenylhexan-3-yl)benzoic acid
CID 20813389
4-[10-anthracen-9-yl-8-(9-ethylcarbazol-4-yl)anthracen-1-yl]-9-ethylcarbazole
CID 155333735
4-[9-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]hexan-2-yl]phenyl]carbazol-3-yl]-N,N-diphenylaniline
CID 155614212

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-4-[4-(5-phenylhexan-3-yl)phenyl]carbazole?
The IUPAC name of 9-ethyl-4-[4-(5-phenylhexan-3-yl)phenyl]carbazole (CID 58569968) is 9-ethyl-4-[4-(5-phenylhexan-3-yl)phenyl]carbazole.
What is the SMILES notation for 9-ethyl-4-[4-(5-phenylhexan-3-yl)phenyl]carbazole?
The canonical SMILES for 9-ethyl-4-[4-(5-phenylhexan-3-yl)phenyl]carbazole is CCC(CC(C)c1ccccc1)c1ccc(-c2cccc3c2c2ccccc2n3CC)cc1.
What is the InChIKey of 9-ethyl-4-[4-(5-phenylhexan-3-yl)phenyl]carbazole?
The InChIKey is CAUBQQHSYWQWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N/c1-4-24(22-23(3)25-12-7-6-8-13-25)26-18-20-27(21-19-26)28-15-11-17-31-32(28)29-14-9-10-16-30(29)33(31)5-2/h6-21,23-24H,4-5,22H2,1-3H3.
What are the key properties of 9-ethyl-4-[4-(5-phenylhexan-3-yl)phenyl]carbazole?
9-ethyl-4-[4-(5-phenylhexan-3-yl)phenyl]carbazole has a molecular weight of 431.62 g/mol, XLogP of 9.17, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-4-[4-(5-phenylhexan-3-yl)phenyl]carbazole is sourced from PubChem (CID 58569968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).