3,6-bis(9H-carbazol-3-yl)-9-(2,4,4-trimethylpentan-2-yl)carbazole

C44H39N3 — CID 144867954

IUPAC3,6-bis(9H-carbazol-3-yl)-9-(2,4,4-trimethylpentan-2-yl)carbazole
SMILESCC(C)(C)CC(C)(C)n1c2ccc(-c3ccc4[nH]c5ccccc5c4c3)cc2c2cc(-c3ccc4[nH]c5ccccc5c4c3)ccc21
InChIInChI=1S/C44H39N3/c1-43(2,3)26-44(4,5)47-41-20-16-29(27-14-18-39-33(22-27)31-10-6-8-12-37(31)45-39)24-35(41)36-25-30(17-21-42(36)47)28-15-19-40-34(23-28)32-11-7-9-13-38(32)46-40/h6-25,45-46H,26H2,1-5H3
InChIKeyFMNDRQBKNOLCTF-UHFFFAOYSA-N
MW609.82 g/mol
LogP12.57
Rot. Bonds4

About 3,6-bis(9H-carbazol-3-yl)-9-(2,4,4-trimethylpentan-2-yl)carbazole

3,6-bis(9H-carbazol-3-yl)-9-(2,4,4-trimethylpentan-2-yl)carbazole (PubChem CID 144867954) has the molecular formula C44H39N3 and a molecular weight of 609.82 g/mol. Its IUPAC name is 3,6-bis(9H-carbazol-3-yl)-9-(2,4,4-trimethylpentan-2-yl)carbazole.

Molecular Properties

Compound Name3,6-bis(9H-carbazol-3-yl)-9-(2,4,4-trimethylpentan-2-yl)carbazole
PubChem CID144867954
Molecular FormulaC44H39N3
Molecular Weight609.82 g/mol
Exact Mass609.31
IUPAC Name3,6-bis(9H-carbazol-3-yl)-9-(2,4,4-trimethylpentan-2-yl)carbazole
SMILESCC(C)(C)CC(C)(C)n1c2ccc(-c3ccc4[nH]c5ccccc5c4c3)cc2c2cc(-c3ccc4[nH]c5ccccc5c4c3)ccc21
InChIInChI=1S/C44H39N3/c1-43(2,3)26-44(4,5)47-41-20-16-29(27-14-18-39-33(22-27)31-10-6-8-12-37(31)45-39)24-35(41)36-25-30(17-21-42(36)47)28-15-19-40-34(23-28)32-11-7-9-13-38(32)46-40/h6-25,45-46H,26H2,1-5H3
InChIKeyFMNDRQBKNOLCTF-UHFFFAOYSA-N
XLogP12.57
TPSA36.51 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.82
LogP ≤ 512.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

9-tert-butyl-3,6-bis(9H-carbazol-3-yl)carbazole;2-methylpropane
CID 144867981
3-(4-tert-butylphenyl)-9H-carbazole
CID 91473096
3-(9H-carbazol-3-yl)-9-[2-(2-methoxyphenyl)propan-2-yl]carbazole
CID 170137871
3-(9H-carbazol-3-yl)-6-(trifluoromethyl)-9-[4-(trifluoromethyl)phenyl]carbazole
CID 59307060
(Z)-but-2-ene;3-(9H-carbazol-3-yl)-9-phenylcarbazole
CID 145055834
3-(2,4,4-trimethylpentan-2-yl)-1H-benzimidazole-2-thione
CID 55222079
3-[4-(2-methylpropyl)phenyl]-9H-carbazole
CID 66615207
3-(9-phenylcarbazol-3-yl)-6-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-carbazole
CID 59307187
9-[4-(9H-carbazol-3-yl)phenyl]-3,6-bis(2-phenylphenyl)carbazole
CID 59306592
3-(9H-carbazol-3-yl)-9-(2-propan-2-ylphenyl)carbazole
CID 59306791
5-tert-butyl-7H-indolo[2,3-b]carbazole
CID 122593552
4-(9H-carbazol-3-yl)-N,N-diphenylaniline;ethane
CID 144639434

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(9H-carbazol-3-yl)-9-(2,4,4-trimethylpentan-2-yl)carbazole?
The IUPAC name of 3,6-bis(9H-carbazol-3-yl)-9-(2,4,4-trimethylpentan-2-yl)carbazole (CID 144867954) is 3,6-bis(9H-carbazol-3-yl)-9-(2,4,4-trimethylpentan-2-yl)carbazole.
What is the SMILES notation for 3,6-bis(9H-carbazol-3-yl)-9-(2,4,4-trimethylpentan-2-yl)carbazole?
The canonical SMILES for 3,6-bis(9H-carbazol-3-yl)-9-(2,4,4-trimethylpentan-2-yl)carbazole is CC(C)(C)CC(C)(C)n1c2ccc(-c3ccc4[nH]c5ccccc5c4c3)cc2c2cc(-c3ccc4[nH]c5ccccc5c4c3)ccc21.
What is the InChIKey of 3,6-bis(9H-carbazol-3-yl)-9-(2,4,4-trimethylpentan-2-yl)carbazole?
The InChIKey is FMNDRQBKNOLCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H39N3/c1-43(2,3)26-44(4,5)47-41-20-16-29(27-14-18-39-33(22-27)31-10-6-8-12-37(31)45-39)24-35(41)36-25-30(17-21-42(36)47)28-15-19-40-34(23-28)32-11-7-9-13-38(32)46-40/h6-25,45-46H,26H2,1-5H3.
What are the key properties of 3,6-bis(9H-carbazol-3-yl)-9-(2,4,4-trimethylpentan-2-yl)carbazole?
3,6-bis(9H-carbazol-3-yl)-9-(2,4,4-trimethylpentan-2-yl)carbazole has a molecular weight of 609.82 g/mol, XLogP of 12.57, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(9H-carbazol-3-yl)-9-(2,4,4-trimethylpentan-2-yl)carbazole is sourced from PubChem (CID 144867954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).