1,3,6-triphenyl-9H-carbazole

C30H21N — CID 118052457

IUPAC1,3,6-triphenyl-9H-carbazole
SMILESc1ccc(-c2ccc3[nH]c4c(-c5ccccc5)cc(-c5ccccc5)cc4c3c2)cc1
InChIInChI=1S/C30H21N/c1-4-10-21(11-5-1)24-16-17-29-27(18-24)28-20-25(22-12-6-2-7-13-22)19-26(30(28)31-29)23-14-8-3-9-15-23/h1-20,31H
InChIKeyBGZGJEAIMLVLLQ-UHFFFAOYSA-N
MW395.51 g/mol
LogP8.32
Rot. Bonds3

About 1,3,6-triphenyl-9H-carbazole

1,3,6-triphenyl-9H-carbazole (PubChem CID 118052457) has the molecular formula C30H21N and a molecular weight of 395.51 g/mol. Its IUPAC name is 1,3,6-triphenyl-9H-carbazole.

Molecular Properties

Compound Name1,3,6-triphenyl-9H-carbazole
PubChem CID118052457
Molecular FormulaC30H21N
Molecular Weight395.51 g/mol
Exact Mass395.17
IUPAC Name1,3,6-triphenyl-9H-carbazole
SMILESc1ccc(-c2ccc3[nH]c4c(-c5ccccc5)cc(-c5ccccc5)cc4c3c2)cc1
InChIInChI=1S/C30H21N/c1-4-10-21(11-5-1)24-16-17-29-27(18-24)28-20-25(22-12-6-2-7-13-22)19-26(30(28)31-29)23-14-8-3-9-15-23/h1-20,31H
InChIKeyBGZGJEAIMLVLLQ-UHFFFAOYSA-N
XLogP8.32
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.51
LogP ≤ 58.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

1-phenyl-3-(1-phenyl-9H-carbazol-3-yl)-9H-carbazole
CID 175910913
3-(3,5-diphenylphenyl)-6-phenyl-9H-carbazole
CID 176723947
7-chloro-1,3-diphenyl-9H-carbazole
CID 121437435
3-(9H-carbazol-3-yl)-1-naphthalen-1-yl-9H-carbazole
CID 175403206
1,3-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-carbazole
CID 118448496
benzene;ethane;3-(4-methylphenyl)-6-phenyl-9H-carbazole
CID 143905034
8-bromo-5-phenyl-11H-benzo[a]carbazole
CID 176551555
1-(3,4-diphenylphenyl)-9H-carbazole
CID 141489388
3,6-bis(2,8-diphenyldibenzothiophen-4-yl)-9H-carbazole
CID 66799481
10-[3-(3,6-diphenyl-9H-carbazol-1-yl)-4-methylphenyl]phenoxazine
CID 166084544
3-naphthalen-1-yl-6-phenyl-9H-carbazole
CID 118099289
3-phenylspiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene]
CID 90253684

Frequently Asked Questions

What is the IUPAC name of 1,3,6-triphenyl-9H-carbazole?
The IUPAC name of 1,3,6-triphenyl-9H-carbazole (CID 118052457) is 1,3,6-triphenyl-9H-carbazole.
What is the SMILES notation for 1,3,6-triphenyl-9H-carbazole?
The canonical SMILES for 1,3,6-triphenyl-9H-carbazole is c1ccc(-c2ccc3[nH]c4c(-c5ccccc5)cc(-c5ccccc5)cc4c3c2)cc1.
What is the InChIKey of 1,3,6-triphenyl-9H-carbazole?
The InChIKey is BGZGJEAIMLVLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21N/c1-4-10-21(11-5-1)24-16-17-29-27(18-24)28-20-25(22-12-6-2-7-13-22)19-26(30(28)31-29)23-14-8-3-9-15-23/h1-20,31H.
What are the key properties of 1,3,6-triphenyl-9H-carbazole?
1,3,6-triphenyl-9H-carbazole has a molecular weight of 395.51 g/mol, XLogP of 8.32, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-triphenyl-9H-carbazole is sourced from PubChem (CID 118052457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).