3,6-ditert-butyl-9-heptylcarbazole

C27H39N — CID 146635987

IUPAC3,6-ditert-butyl-9-heptylcarbazole
SMILESCCCCCCCn1c2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)ccc21
InChIInChI=1S/C27H39N/c1-8-9-10-11-12-17-28-24-15-13-20(26(2,3)4)18-22(24)23-19-21(27(5,6)7)14-16-25(23)28/h13-16,18-19H,8-12,17H2,1-7H3
InChIKeyYPBMSGDBCNNPKI-UHFFFAOYSA-N
MW377.62 g/mol
LogP8.36
Rot. Bonds6

About 3,6-ditert-butyl-9-heptylcarbazole

3,6-ditert-butyl-9-heptylcarbazole (PubChem CID 146635987) has the molecular formula C27H39N and a molecular weight of 377.62 g/mol. Its IUPAC name is 3,6-ditert-butyl-9-heptylcarbazole.

Molecular Properties

Compound Name3,6-ditert-butyl-9-heptylcarbazole
PubChem CID146635987
Molecular FormulaC27H39N
Molecular Weight377.62 g/mol
Exact Mass377.31
IUPAC Name3,6-ditert-butyl-9-heptylcarbazole
SMILESCCCCCCCn1c2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)ccc21
InChIInChI=1S/C27H39N/c1-8-9-10-11-12-17-28-24-15-13-20(26(2,3)4)18-22(24)23-19-21(27(5,6)7)14-16-25(23)28/h13-16,18-19H,8-12,17H2,1-7H3
InChIKeyYPBMSGDBCNNPKI-UHFFFAOYSA-N
XLogP8.36
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.62
LogP ≤ 58.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,6-ditert-butyl-9-hexylcarbazole
CID 146671988
9-hexadecylcarbazole
CID 4166588
9-docosylcarbazole
CID 10528568
6,18-didodecyl-7,19-dimethyl-6,18-diazahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene
CID 144783629
9-dodecylcarbazole-3,6-dicarbaldehyde
CID 22559825
benzene;9-octylcarbazole
CID 175067369
32-hexyl-9,14,19,24-tetramethyl-32-azaoctacyclo[25.3.1.12,6.13,30.17,11.112,16.117,21.122,26]heptatriaconta-1(30),2,4,6(37),7(36),8,10,12(35),13,15,17,19,21(34),22,24,26(33),27(31),28-octadecaene
CID 51040792
5-[6-(5-formylthiophen-2-yl)-9-octylcarbazol-3-yl]thiophene-2-carbaldehyde
CID 141456371
9-octyl-3-[5-[5-[5-(9-octylcarbazol-3-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]carbazole
CID 134391330
5,11-didodecyl-2-fluoro-8-methylindolo[3,2-b]carbazole
CID 67991343
(9-dodecylcarbazol-3-yl)methanol
CID 151995019
3-bromo-6-[(E)-2-(6-bromo-9-hexylcarbazol-3-yl)ethenyl]-9-hexylcarbazole
CID 139088492

Frequently Asked Questions

What is the IUPAC name of 3,6-ditert-butyl-9-heptylcarbazole?
The IUPAC name of 3,6-ditert-butyl-9-heptylcarbazole (CID 146635987) is 3,6-ditert-butyl-9-heptylcarbazole.
What is the SMILES notation for 3,6-ditert-butyl-9-heptylcarbazole?
The canonical SMILES for 3,6-ditert-butyl-9-heptylcarbazole is CCCCCCCn1c2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)ccc21.
What is the InChIKey of 3,6-ditert-butyl-9-heptylcarbazole?
The InChIKey is YPBMSGDBCNNPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N/c1-8-9-10-11-12-17-28-24-15-13-20(26(2,3)4)18-22(24)23-19-21(27(5,6)7)14-16-25(23)28/h13-16,18-19H,8-12,17H2,1-7H3.
What are the key properties of 3,6-ditert-butyl-9-heptylcarbazole?
3,6-ditert-butyl-9-heptylcarbazole has a molecular weight of 377.62 g/mol, XLogP of 8.36, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-ditert-butyl-9-heptylcarbazole is sourced from PubChem (CID 146635987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).