9-tert-butyl-3,6-bis(9H-carbazol-3-yl)carbazole;2-methylpropane

C44H41N3 — CID 144867981

IUPAC9-tert-butyl-3,6-bis(9H-carbazol-3-yl)carbazole;2-methylpropane
SMILESCC(C)(C)n1c2ccc(-c3ccc4[nH]c5ccccc5c4c3)cc2c2cc(-c3ccc4[nH]c5ccccc5c4c3)ccc21.CC(C)C
InChIInChI=1S/C40H31N3.C4H10/c1-40(2,3)43-38-18-14-26(24-12-16-36-30(20-24)28-8-4-6-10-34(28)41-36)22-32(38)33-23-27(15-19-39(33)43)25-13-17-37-31(21-25)29-9-5-7-11-35(29)42-37;1-4(2)3/h4-23,41-42H,1-3H3;4H,1-3H3
InChIKeyXVCUTLALNBLDNR-UHFFFAOYSA-N
MW611.83 g/mol
LogP12.81
Rot. Bonds2

About 9-tert-butyl-3,6-bis(9H-carbazol-3-yl)carbazole;2-methylpropane

9-tert-butyl-3,6-bis(9H-carbazol-3-yl)carbazole;2-methylpropane (PubChem CID 144867981) has the molecular formula C44H41N3 and a molecular weight of 611.83 g/mol. Its IUPAC name is 9-tert-butyl-3,6-bis(9H-carbazol-3-yl)carbazole;2-methylpropane.

Molecular Properties

Compound Name9-tert-butyl-3,6-bis(9H-carbazol-3-yl)carbazole;2-methylpropane
PubChem CID144867981
Molecular FormulaC44H41N3
Molecular Weight611.83 g/mol
Exact Mass611.33
IUPAC Name9-tert-butyl-3,6-bis(9H-carbazol-3-yl)carbazole;2-methylpropane
SMILESCC(C)(C)n1c2ccc(-c3ccc4[nH]c5ccccc5c4c3)cc2c2cc(-c3ccc4[nH]c5ccccc5c4c3)ccc21.CC(C)C
InChIInChI=1S/C40H31N3.C4H10/c1-40(2,3)43-38-18-14-26(24-12-16-36-30(20-24)28-8-4-6-10-34(28)41-36)22-32(38)33-23-27(15-19-39(33)43)25-13-17-37-31(21-25)29-9-5-7-11-35(29)42-37;1-4(2)3/h4-23,41-42H,1-3H3;4H,1-3H3
InChIKeyXVCUTLALNBLDNR-UHFFFAOYSA-N
XLogP12.81
TPSA36.51 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.83
LogP ≤ 512.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3,6-bis(9H-carbazol-3-yl)-9-(2,4,4-trimethylpentan-2-yl)carbazole
CID 144867954
5-tert-butyl-7H-indolo[2,3-b]carbazole
CID 122593552
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)-9-(2-propan-2-ylphenyl)carbazole
CID 59306791
3-[4-(2-methylpropyl)phenyl]-9H-carbazole
CID 66615207
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-(9H-carbazol-3-yl)-9-[3-(2-methylpropyl)phenyl]carbazole
CID 59306787
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
9H-carbazole;2,2,4-trimethylpentane
CID 157439850

Frequently Asked Questions

What is the IUPAC name of 9-tert-butyl-3,6-bis(9H-carbazol-3-yl)carbazole;2-methylpropane?
The IUPAC name of 9-tert-butyl-3,6-bis(9H-carbazol-3-yl)carbazole;2-methylpropane (CID 144867981) is 9-tert-butyl-3,6-bis(9H-carbazol-3-yl)carbazole;2-methylpropane.
What is the SMILES notation for 9-tert-butyl-3,6-bis(9H-carbazol-3-yl)carbazole;2-methylpropane?
The canonical SMILES for 9-tert-butyl-3,6-bis(9H-carbazol-3-yl)carbazole;2-methylpropane is CC(C)(C)n1c2ccc(-c3ccc4[nH]c5ccccc5c4c3)cc2c2cc(-c3ccc4[nH]c5ccccc5c4c3)ccc21.CC(C)C.
What is the InChIKey of 9-tert-butyl-3,6-bis(9H-carbazol-3-yl)carbazole;2-methylpropane?
The InChIKey is XVCUTLALNBLDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H31N3.C4H10/c1-40(2,3)43-38-18-14-26(24-12-16-36-30(20-24)28-8-4-6-10-34(28)41-36)22-32(38)33-23-27(15-19-39(33)43)25-13-17-37-31(21-25)29-9-5-7-11-35(29)42-37;1-4(2)3/h4-23,41-42H,1-3H3;4H,1-3H3.
What are the key properties of 9-tert-butyl-3,6-bis(9H-carbazol-3-yl)carbazole;2-methylpropane?
9-tert-butyl-3,6-bis(9H-carbazol-3-yl)carbazole;2-methylpropane has a molecular weight of 611.83 g/mol, XLogP of 12.81, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-tert-butyl-3,6-bis(9H-carbazol-3-yl)carbazole;2-methylpropane is sourced from PubChem (CID 144867981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).