1-heptadecan-9-yl-9H-carbazole

C29H43N — CID 132513625

IUPAC1-heptadecan-9-yl-9H-carbazole
SMILESCCCCCCCCC(CCCCCCCC)c1cccc2c1[nH]c1ccccc12
InChIInChI=1S/C29H43N/c1-3-5-7-9-11-13-18-24(19-14-12-10-8-6-4-2)25-21-17-22-27-26-20-15-16-23-28(26)30-29(25)27/h15-17,20-24,30H,3-14,18-19H2,1-2H3
InChIKeyPJMPPXHRBWOJPU-UHFFFAOYSA-N
MW405.67 g/mol
LogP9.91
Rot. Bonds15

About 1-heptadecan-9-yl-9H-carbazole

1-heptadecan-9-yl-9H-carbazole (PubChem CID 132513625) has the molecular formula C29H43N and a molecular weight of 405.67 g/mol. Its IUPAC name is 1-heptadecan-9-yl-9H-carbazole.

Molecular Properties

Compound Name1-heptadecan-9-yl-9H-carbazole
PubChem CID132513625
Molecular FormulaC29H43N
Molecular Weight405.67 g/mol
Exact Mass405.34
IUPAC Name1-heptadecan-9-yl-9H-carbazole
SMILESCCCCCCCCC(CCCCCCCC)c1cccc2c1[nH]c1ccccc12
InChIInChI=1S/C29H43N/c1-3-5-7-9-11-13-18-24(19-14-12-10-8-6-4-2)25-21-17-22-27-26-20-15-16-23-28(26)30-29(25)27/h15-17,20-24,30H,3-14,18-19H2,1-2H3
InChIKeyPJMPPXHRBWOJPU-UHFFFAOYSA-N
XLogP9.91
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.67
LogP ≤ 59.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-undecan-2-yl-9H-carbazole
CID 173176720
1-hexadecan-6-ylnaphthalene
CID 14029925
1-tetracosan-9-ylnaphthalene
CID 175897855
1-octacosan-4-ylnaphthalene
CID 54149804
1-decan-5-ylnaphthalene
CID 14029915
1-[1-(2,7-dibromo-9H-fluoren-9-yl)octyl]-9H-carbazole
CID 142667367
2-[2-(9H-carbazol-1-yl)ethyl]undecan-1-ol
CID 164577577
1-nonyl-9H-carbazole
CID 66872642
2-pentadecan-6-ylphenol
CID 66865451
1-tridecan-7-ylanthracene
CID 150514951
5-naphthalen-1-ylheptadecan-2-one
CID 142778100
2-icosan-9-ylaniline
CID 22408958

Frequently Asked Questions

What is the IUPAC name of 1-heptadecan-9-yl-9H-carbazole?
The IUPAC name of 1-heptadecan-9-yl-9H-carbazole (CID 132513625) is 1-heptadecan-9-yl-9H-carbazole.
What is the SMILES notation for 1-heptadecan-9-yl-9H-carbazole?
The canonical SMILES for 1-heptadecan-9-yl-9H-carbazole is CCCCCCCCC(CCCCCCCC)c1cccc2c1[nH]c1ccccc12.
What is the InChIKey of 1-heptadecan-9-yl-9H-carbazole?
The InChIKey is PJMPPXHRBWOJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H43N/c1-3-5-7-9-11-13-18-24(19-14-12-10-8-6-4-2)25-21-17-22-27-26-20-15-16-23-28(26)30-29(25)27/h15-17,20-24,30H,3-14,18-19H2,1-2H3.
What are the key properties of 1-heptadecan-9-yl-9H-carbazole?
1-heptadecan-9-yl-9H-carbazole has a molecular weight of 405.67 g/mol, XLogP of 9.91, 15 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptadecan-9-yl-9H-carbazole is sourced from PubChem (CID 132513625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).