9-[4-(1-azoniatricyclo[3.3.1.13,7]decan-1-yl)phenyl]carbazole

C27H27N2+ — CID 170153519

IUPAC9-[4-(1-azoniatricyclo[3.3.1.13,7]decan-1-yl)phenyl]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc([N+]23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C27H27N2/c1-3-7-26-24(5-1)25-6-2-4-8-27(25)28(26)22-9-11-23(12-10-22)29-16-19-13-20(17-29)15-21(14-19)18-29/h1-12,19-21H,13-18H2/q+1
InChIKeyVJHKBHCCHIHKBX-UHFFFAOYSA-N
MW379.53 g/mol
LogP6.15
Rot. Bonds2

About 9-[4-(1-azoniatricyclo[3.3.1.13,7]decan-1-yl)phenyl]carbazole

9-[4-(1-azoniatricyclo[3.3.1.13,7]decan-1-yl)phenyl]carbazole (PubChem CID 170153519) has the molecular formula C27H27N2+ and a molecular weight of 379.53 g/mol. Its IUPAC name is 9-[4-(1-azoniatricyclo[3.3.1.13,7]decan-1-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[4-(1-azoniatricyclo[3.3.1.13,7]decan-1-yl)phenyl]carbazole
PubChem CID170153519
Molecular FormulaC27H27N2+
Molecular Weight379.53 g/mol
Exact Mass379.22
IUPAC Name9-[4-(1-azoniatricyclo[3.3.1.13,7]decan-1-yl)phenyl]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc([N+]23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C27H27N2/c1-3-7-26-24(5-1)25-6-2-4-8-27(25)28(26)22-9-11-23(12-10-22)29-16-19-13-20(17-29)15-21(14-19)18-29/h1-12,19-21H,13-18H2/q+1
InChIKeyVJHKBHCCHIHKBX-UHFFFAOYSA-N
XLogP6.15
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.53
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

9-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041201
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 135323607
9-[4-[2-(4-carbazol-9-ylphenyl)-2-tricyclo[4.4.1.13,8]dodecanyl]phenyl]carbazole
CID 118965630
[2-(4-carbazol-9-ylphenyl)-2-adamantyl]-diphenylborane
CID 155642855
9-[4-[10-[10-(4-carbazol-9-ylphenyl)anthracen-9-yl]anthracen-9-yl]phenyl]carbazole
CID 58971557
9-[4-[3-(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]carbazole;9-[4-[4-[3-[4-(4-carbazol-9-ylphenyl)phenyl]-1-adamantyl]phenyl]phenyl]carbazole
CID 157166578
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;ethane
CID 143126318
11,12-bis(4-carbazol-9-ylphenyl)indolo[2,3-a]carbazole
CID 70938031
9-[4-[2-(4-iodophenyl)-2-adamantyl]phenyl]carbazole
CID 155332348
9-(4-tritylphenyl)carbazole
CID 162500226
9-[4-[3,5-bis(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]carbazole
CID 141391404
9-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041264

Frequently Asked Questions

What is the IUPAC name of 9-[4-(1-azoniatricyclo[3.3.1.13,7]decan-1-yl)phenyl]carbazole?
The IUPAC name of 9-[4-(1-azoniatricyclo[3.3.1.13,7]decan-1-yl)phenyl]carbazole (CID 170153519) is 9-[4-(1-azoniatricyclo[3.3.1.13,7]decan-1-yl)phenyl]carbazole.
What is the SMILES notation for 9-[4-(1-azoniatricyclo[3.3.1.13,7]decan-1-yl)phenyl]carbazole?
The canonical SMILES for 9-[4-(1-azoniatricyclo[3.3.1.13,7]decan-1-yl)phenyl]carbazole is c1ccc2c(c1)c1ccccc1n2-c1ccc([N+]23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of 9-[4-(1-azoniatricyclo[3.3.1.13,7]decan-1-yl)phenyl]carbazole?
The InChIKey is VJHKBHCCHIHKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N2/c1-3-7-26-24(5-1)25-6-2-4-8-27(25)28(26)22-9-11-23(12-10-22)29-16-19-13-20(17-29)15-21(14-19)18-29/h1-12,19-21H,13-18H2/q+1.
What are the key properties of 9-[4-(1-azoniatricyclo[3.3.1.13,7]decan-1-yl)phenyl]carbazole?
9-[4-(1-azoniatricyclo[3.3.1.13,7]decan-1-yl)phenyl]carbazole has a molecular weight of 379.53 g/mol, XLogP of 6.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(1-azoniatricyclo[3.3.1.13,7]decan-1-yl)phenyl]carbazole is sourced from PubChem (CID 170153519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).