2,7-bis(3-propan-2-ylphenyl)-9H-carbazole

C30H29N — CID 118528823

IUPAC2,7-bis(3-propan-2-ylphenyl)-9H-carbazole
SMILESCC(C)c1cccc(-c2ccc3c(c2)[nH]c2cc(-c4cccc(C(C)C)c4)ccc23)c1
InChIInChI=1S/C30H29N/c1-19(2)21-7-5-9-23(15-21)25-11-13-27-28-14-12-26(18-30(28)31-29(27)17-25)24-10-6-8-22(16-24)20(3)4/h5-20,31H,1-4H3
InChIKeyRDLPJLYKPMJYPR-UHFFFAOYSA-N
MW403.57 g/mol
LogP8.90
Rot. Bonds4

About 2,7-bis(3-propan-2-ylphenyl)-9H-carbazole

2,7-bis(3-propan-2-ylphenyl)-9H-carbazole (PubChem CID 118528823) has the molecular formula C30H29N and a molecular weight of 403.57 g/mol. Its IUPAC name is 2,7-bis(3-propan-2-ylphenyl)-9H-carbazole.

Molecular Properties

Compound Name2,7-bis(3-propan-2-ylphenyl)-9H-carbazole
PubChem CID118528823
Molecular FormulaC30H29N
Molecular Weight403.57 g/mol
Exact Mass403.23
IUPAC Name2,7-bis(3-propan-2-ylphenyl)-9H-carbazole
SMILESCC(C)c1cccc(-c2ccc3c(c2)[nH]c2cc(-c4cccc(C(C)C)c4)ccc23)c1
InChIInChI=1S/C30H29N/c1-19(2)21-7-5-9-23(15-21)25-11-13-27-28-14-12-26(18-30(28)31-29(27)17-25)24-10-6-8-22(16-24)20(3)4/h5-20,31H,1-4H3
InChIKeyRDLPJLYKPMJYPR-UHFFFAOYSA-N
XLogP8.90
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.57
LogP ≤ 58.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

Carbazole
CID 6854
7H-Dibenzo(c,g)carbazole
CID 9134
2-Methylindole
CID 7224
LE-300
CID 4350931
2-Phenylindole
CID 13698
4,9-Dihydro-1-methyl-3H-pyrido(3,4-b)indole
CID 160510
Gat211
CID 4402318
2,3-Dimethylindole
CID 7053
4',6-Diamidino-2-Phenylindole
CID 2954
2,3-diphenyl-1H-indole
CID 77020
Benzo[a]carbazole
CID 9196
2-ethyl-9H-carbazole
CID 138537

Frequently Asked Questions

What is the IUPAC name of 2,7-bis(3-propan-2-ylphenyl)-9H-carbazole?
The IUPAC name of 2,7-bis(3-propan-2-ylphenyl)-9H-carbazole (CID 118528823) is 2,7-bis(3-propan-2-ylphenyl)-9H-carbazole.
What is the SMILES notation for 2,7-bis(3-propan-2-ylphenyl)-9H-carbazole?
The canonical SMILES for 2,7-bis(3-propan-2-ylphenyl)-9H-carbazole is CC(C)c1cccc(-c2ccc3c(c2)[nH]c2cc(-c4cccc(C(C)C)c4)ccc23)c1.
What is the InChIKey of 2,7-bis(3-propan-2-ylphenyl)-9H-carbazole?
The InChIKey is RDLPJLYKPMJYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N/c1-19(2)21-7-5-9-23(15-21)25-11-13-27-28-14-12-26(18-30(28)31-29(27)17-25)24-10-6-8-22(16-24)20(3)4/h5-20,31H,1-4H3.
What are the key properties of 2,7-bis(3-propan-2-ylphenyl)-9H-carbazole?
2,7-bis(3-propan-2-ylphenyl)-9H-carbazole has a molecular weight of 403.57 g/mol, XLogP of 8.90, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(3-propan-2-ylphenyl)-9H-carbazole is sourced from PubChem (CID 118528823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).