9-tert-butyl-3-carbazol-9-ylcarbazole;9-tert-butyl-1,8-diphenylcarbazole;9-tert-butyl-1-phenylcarbazole;methane

C82H86N4 — CID 159278702

IUPAC9-tert-butyl-3-carbazol-9-ylcarbazole;9-tert-butyl-1,8-diphenylcarbazole;9-tert-butyl-1-phenylcarbazole;methane
SMILESC.C.C.C.CC(C)(C)n1c2c(-c3ccccc3)cccc2c2cccc(-c3ccccc3)c21.CC(C)(C)n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.CC(C)(C)n1c2ccccc2c2cccc(-c3ccccc3)c21
InChIInChI=1S/C28H24N2.C28H25N.C22H21N.4CH4/c1-28(2,3)30-26-15-9-6-12-22(26)23-18-19(16-17-27(23)30)29-24-13-7-4-10-20(24)21-11-5-8-14-25(21)29;1-28(2,3)29-26-22(20-12-6-4-7-13-20)16-10-18-24(26)25-19-11-17-23(27(25)29)21-14-8-5-9-15-21;1-22(2,3)23-20-15-8-7-12-18(20)19-14-9-13-17(21(19)23)16-10-5-4-6-11-16;;;;/h4-18H,1-3H3;4-19H,1-3H3;4-15H,1-3H3;4*1H4
InChIKeyKYQHEEKADVPENX-UHFFFAOYSA-N
MW1127.62 g/mol
LogP24.29
Rot. Bonds4

About 9-tert-butyl-3-carbazol-9-ylcarbazole;9-tert-butyl-1,8-diphenylcarbazole;9-tert-butyl-1-phenylcarbazole;methane

9-tert-butyl-3-carbazol-9-ylcarbazole;9-tert-butyl-1,8-diphenylcarbazole;9-tert-butyl-1-phenylcarbazole;methane (PubChem CID 159278702) has the molecular formula C82H86N4 and a molecular weight of 1127.62 g/mol. Its IUPAC name is 9-tert-butyl-3-carbazol-9-ylcarbazole;9-tert-butyl-1,8-diphenylcarbazole;9-tert-butyl-1-phenylcarbazole;methane.

Molecular Properties

Compound Name9-tert-butyl-3-carbazol-9-ylcarbazole;9-tert-butyl-1,8-diphenylcarbazole;9-tert-butyl-1-phenylcarbazole;methane
PubChem CID159278702
Molecular FormulaC82H86N4
Molecular Weight1127.62 g/mol
Exact Mass1126.69
IUPAC Name9-tert-butyl-3-carbazol-9-ylcarbazole;9-tert-butyl-1,8-diphenylcarbazole;9-tert-butyl-1-phenylcarbazole;methane
SMILESC.C.C.C.CC(C)(C)n1c2c(-c3ccccc3)cccc2c2cccc(-c3ccccc3)c21.CC(C)(C)n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.CC(C)(C)n1c2ccccc2c2cccc(-c3ccccc3)c21
InChIInChI=1S/C28H24N2.C28H25N.C22H21N.4CH4/c1-28(2,3)30-26-15-9-6-12-22(26)23-18-19(16-17-27(23)30)29-24-13-7-4-10-20(24)21-11-5-8-14-25(21)29;1-28(2,3)29-26-22(20-12-6-4-7-13-20)16-10-18-24(26)25-19-11-17-23(27(25)29)21-14-8-5-9-15-21;1-22(2,3)23-20-15-8-7-12-18(20)19-14-9-13-17(21(19)23)16-10-5-4-6-11-16;;;;/h4-18H,1-3H3;4-19H,1-3H3;4-15H,1-3H3;4*1H4
InChIKeyKYQHEEKADVPENX-UHFFFAOYSA-N
XLogP24.29
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001127.62
LogP ≤ 524.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-tert-butyl-3-carbazol-9-ylcarbazole;9-tert-butyl-1,8-diphenylcarbazole;9-tert-butyl-1-phenylcarbazole
CID 167590629
9-tert-butyl-3-carbazol-9-ylcarbazole;9-tert-butyl-1,8-diphenylcarbazole
CID 163621897
9-tert-butylcarbazole;9-tert-butyl-3-carbazol-9-ylcarbazole;3-(9-tert-butylcarbazol-3-yl)-9-phenylcarbazole;9-tert-butyl-3,6-di(carbazol-9-yl)carbazole
CID 164959111
6-methyl-1-phenyl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170365229
3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3,9-diphenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;1-phenyl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 160580937
9-tert-butylcarbazole;9-tert-butyl-2-carbazol-9-ylcarbazole;9-tert-butyl-3-carbazol-9-ylcarbazole;3-(9-tert-butylcarbazol-2-yl)-9-phenylcarbazole;3-(9-tert-butylcarbazol-3-yl)-9-phenylcarbazole;methane
CID 158054599
3-carbazol-9-yl-9-[4-(2,4,5-triphenylphenyl)phenyl]carbazole
CID 152852425
3-carbazol-9-yl-9-[2-[4-(2-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenylphenyl]carbazole
CID 138606121
9-tert-butylcarbazole;9-tert-butyl-2-carbazol-9-ylcarbazole;9-tert-butyl-3-carbazol-9-ylcarbazole;3-(9-tert-butylcarbazol-2-yl)-9-phenylcarbazole;3-(9-tert-butylcarbazol-3-yl)-9-phenylcarbazole
CID 158518271
3-(9-tert-butylcarbazol-3-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 118133161
3-carbazol-9-yl-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 149208011
2-(3-carbazol-9-ylcarbazol-9-yl)-6-phenylaniline
CID 176607684

Frequently Asked Questions

What is the IUPAC name of 9-tert-butyl-3-carbazol-9-ylcarbazole;9-tert-butyl-1,8-diphenylcarbazole;9-tert-butyl-1-phenylcarbazole;methane?
The IUPAC name of 9-tert-butyl-3-carbazol-9-ylcarbazole;9-tert-butyl-1,8-diphenylcarbazole;9-tert-butyl-1-phenylcarbazole;methane (CID 159278702) is 9-tert-butyl-3-carbazol-9-ylcarbazole;9-tert-butyl-1,8-diphenylcarbazole;9-tert-butyl-1-phenylcarbazole;methane.
What is the SMILES notation for 9-tert-butyl-3-carbazol-9-ylcarbazole;9-tert-butyl-1,8-diphenylcarbazole;9-tert-butyl-1-phenylcarbazole;methane?
The canonical SMILES for 9-tert-butyl-3-carbazol-9-ylcarbazole;9-tert-butyl-1,8-diphenylcarbazole;9-tert-butyl-1-phenylcarbazole;methane is C.C.C.C.CC(C)(C)n1c2c(-c3ccccc3)cccc2c2cccc(-c3ccccc3)c21.CC(C)(C)n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.CC(C)(C)n1c2ccccc2c2cccc(-c3ccccc3)c21.
What is the InChIKey of 9-tert-butyl-3-carbazol-9-ylcarbazole;9-tert-butyl-1,8-diphenylcarbazole;9-tert-butyl-1-phenylcarbazole;methane?
The InChIKey is KYQHEEKADVPENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2.C28H25N.C22H21N.4CH4/c1-28(2,3)30-26-15-9-6-12-22(26)23-18-19(16-17-27(23)30)29-24-13-7-4-10-20(24)21-11-5-8-14-25(21)29;1-28(2,3)29-26-22(20-12-6-4-7-13-20)16-10-18-24(26)25-19-11-17-23(27(25)29)21-14-8-5-9-15-21;1-22(2,3)23-20-15-8-7-12-18(20)19-14-9-13-17(21(19)23)16-10-5-4-6-11-16;;;;/h4-18H,1-3H3;4-19H,1-3H3;4-15H,1-3H3;4*1H4.
What are the key properties of 9-tert-butyl-3-carbazol-9-ylcarbazole;9-tert-butyl-1,8-diphenylcarbazole;9-tert-butyl-1-phenylcarbazole;methane?
9-tert-butyl-3-carbazol-9-ylcarbazole;9-tert-butyl-1,8-diphenylcarbazole;9-tert-butyl-1-phenylcarbazole;methane has a molecular weight of 1127.62 g/mol, XLogP of 24.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-tert-butyl-3-carbazol-9-ylcarbazole;9-tert-butyl-1,8-diphenylcarbazole;9-tert-butyl-1-phenylcarbazole;methane is sourced from PubChem (CID 159278702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).