4-tert-butyl-3-carbazol-9-yl-5,9-diphenylcarbazole

C40H32N2 — CID 146579190

IUPAC4-tert-butyl-3-carbazol-9-yl-5,9-diphenylcarbazole
SMILESCC(C)(C)c1c(-n2c3ccccc3c3ccccc32)ccc2c1c1c(-c3ccccc3)cccc1n2-c1ccccc1
InChIInChI=1S/C40H32N2/c1-40(2,3)39-36(42-32-22-12-10-19-30(32)31-20-11-13-23-33(31)42)26-25-35-38(39)37-29(27-15-6-4-7-16-27)21-14-24-34(37)41(35)28-17-8-5-9-18-28/h4-26H,1-3H3
InChIKeyGDKLVBQJJAQHHZ-UHFFFAOYSA-N
MW540.71 g/mol
LogP10.85
Rot. Bonds3

About 4-tert-butyl-3-carbazol-9-yl-5,9-diphenylcarbazole

4-tert-butyl-3-carbazol-9-yl-5,9-diphenylcarbazole (PubChem CID 146579190) has the molecular formula C40H32N2 and a molecular weight of 540.71 g/mol. Its IUPAC name is 4-tert-butyl-3-carbazol-9-yl-5,9-diphenylcarbazole.

Molecular Properties

Compound Name4-tert-butyl-3-carbazol-9-yl-5,9-diphenylcarbazole
PubChem CID146579190
Molecular FormulaC40H32N2
Molecular Weight540.71 g/mol
Exact Mass540.26
IUPAC Name4-tert-butyl-3-carbazol-9-yl-5,9-diphenylcarbazole
SMILESCC(C)(C)c1c(-n2c3ccccc3c3ccccc32)ccc2c1c1c(-c3ccccc3)cccc1n2-c1ccccc1
InChIInChI=1S/C40H32N2/c1-40(2,3)39-36(42-32-22-12-10-19-30(32)31-20-11-13-23-33(31)42)26-25-35-38(39)37-29(27-15-6-4-7-16-27)21-14-24-34(37)41(35)28-17-8-5-9-18-28/h4-26H,1-3H3
InChIKeyGDKLVBQJJAQHHZ-UHFFFAOYSA-N
XLogP10.85
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.71
LogP ≤ 510.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-3-carbazol-9-yl-5-(3,5-ditert-butylphenyl)-9-phenylcarbazole
CID 146578603
4-tert-butyl-3-carbazol-9-yl-5-(3,5-ditert-butylphenyl)-9-phenylcarbazole;4-tert-butyl-5-(3,5-ditert-butylphenyl)-3,9-diphenylcarbazole;4-tert-butyl-5-(3,5-ditert-butylphenyl)-9-phenyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole
CID 159330147
3-(3,6-ditert-butylcarbazol-9-yl)-4-(7-methyltridecan-7-yl)-5,9-diphenylcarbazole
CID 167289260
3-(9-phenylcarbazol-3-yl)-9-[8-(4-phenylphenyl)triphenylen-1-yl]carbazole
CID 149305333
4-phenyl-9-[2-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazole
CID 166037163
3-(9-phenylcarbazol-3-yl)-9-(9-phenyltriphenylen-1-yl)carbazole
CID 147763245
9-phenyl-3-(9-phenylcarbazol-3-yl)-5-[4-(4-phenylphenyl)phenyl]carbazole
CID 134369783
4-tert-butyl-9-(3,5-ditert-butylphenyl)-3,5-diphenylcarbazole
CID 146578604
3-[4-[9-(2,5-diphenylphenyl)carbazol-3-yl]phenyl]-9-phenyl-5-(3-phenylphenyl)carbazole
CID 139319565
3-[9-(2,4-diphenylphenyl)carbazol-3-yl]-5-phenyl-9-(4-phenylphenyl)carbazole
CID 139319655
9-phenyl-5-(4-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazole
CID 170073009
5,9-diphenyl-3-(9-phenylcarbazol-3-yl)carbazole;5-phenyl-3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 160685377

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-carbazol-9-yl-5,9-diphenylcarbazole?
The IUPAC name of 4-tert-butyl-3-carbazol-9-yl-5,9-diphenylcarbazole (CID 146579190) is 4-tert-butyl-3-carbazol-9-yl-5,9-diphenylcarbazole.
What is the SMILES notation for 4-tert-butyl-3-carbazol-9-yl-5,9-diphenylcarbazole?
The canonical SMILES for 4-tert-butyl-3-carbazol-9-yl-5,9-diphenylcarbazole is CC(C)(C)c1c(-n2c3ccccc3c3ccccc32)ccc2c1c1c(-c3ccccc3)cccc1n2-c1ccccc1.
What is the InChIKey of 4-tert-butyl-3-carbazol-9-yl-5,9-diphenylcarbazole?
The InChIKey is GDKLVBQJJAQHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H32N2/c1-40(2,3)39-36(42-32-22-12-10-19-30(32)31-20-11-13-23-33(31)42)26-25-35-38(39)37-29(27-15-6-4-7-16-27)21-14-24-34(37)41(35)28-17-8-5-9-18-28/h4-26H,1-3H3.
What are the key properties of 4-tert-butyl-3-carbazol-9-yl-5,9-diphenylcarbazole?
4-tert-butyl-3-carbazol-9-yl-5,9-diphenylcarbazole has a molecular weight of 540.71 g/mol, XLogP of 10.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-carbazol-9-yl-5,9-diphenylcarbazole is sourced from PubChem (CID 146579190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).