4-tert-butyl-3-carbazol-9-yl-5-(3,5-ditert-butylphenyl)-9-phenylcarbazole

C48H48N2 — CID 146578603

IUPAC4-tert-butyl-3-carbazol-9-yl-5-(3,5-ditert-butylphenyl)-9-phenylcarbazole
SMILESCC(C)(C)c1cc(-c2cccc3c2c2c(C(C)(C)C)c(-n4c5ccccc5c5ccccc54)ccc2n3-c2ccccc2)cc(C(C)(C)C)c1
InChIInChI=1S/C48H48N2/c1-46(2,3)32-28-31(29-33(30-32)47(4,5)6)35-22-17-25-40-43(35)44-41(49(40)34-18-11-10-12-19-34)26-27-42(45(44)48(7,8)9)50-38-23-15-13-20-36(38)37-21-14-16-24-39(37)50/h10-30H,1-9H3
InChIKeyGKAZNHSTQIMQTH-UHFFFAOYSA-N
MW652.93 g/mol
LogP13.44
Rot. Bonds3

About 4-tert-butyl-3-carbazol-9-yl-5-(3,5-ditert-butylphenyl)-9-phenylcarbazole

4-tert-butyl-3-carbazol-9-yl-5-(3,5-ditert-butylphenyl)-9-phenylcarbazole (PubChem CID 146578603) has the molecular formula C48H48N2 and a molecular weight of 652.93 g/mol. Its IUPAC name is 4-tert-butyl-3-carbazol-9-yl-5-(3,5-ditert-butylphenyl)-9-phenylcarbazole.

Molecular Properties

Compound Name4-tert-butyl-3-carbazol-9-yl-5-(3,5-ditert-butylphenyl)-9-phenylcarbazole
PubChem CID146578603
Molecular FormulaC48H48N2
Molecular Weight652.93 g/mol
Exact Mass652.38
IUPAC Name4-tert-butyl-3-carbazol-9-yl-5-(3,5-ditert-butylphenyl)-9-phenylcarbazole
SMILESCC(C)(C)c1cc(-c2cccc3c2c2c(C(C)(C)C)c(-n4c5ccccc5c5ccccc54)ccc2n3-c2ccccc2)cc(C(C)(C)C)c1
InChIInChI=1S/C48H48N2/c1-46(2,3)32-28-31(29-33(30-32)47(4,5)6)35-22-17-25-40-43(35)44-41(49(40)34-18-11-10-12-19-34)26-27-42(45(44)48(7,8)9)50-38-23-15-13-20-36(38)37-21-14-16-24-39(37)50/h10-30H,1-9H3
InChIKeyGKAZNHSTQIMQTH-UHFFFAOYSA-N
XLogP13.44
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.93
LogP ≤ 513.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-3-carbazol-9-yl-5,9-diphenylcarbazole
CID 146579190
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
4-tert-butyl-5-(3,5-ditert-butylphenyl)-3-(2,3,4,5,6-pentadeuteriophenyl)-9-phenylcarbazole
CID 158612142
4-tert-butyl-3-carbazol-9-yl-5,9-diphenylcarbazole;4-tert-butyl-3-carbazol-9-yl-5-(2,3,4,5,6-pentadeuteriophenyl)-9-phenylcarbazole;4-tert-butyl-3-(3,6-ditert-butylcarbazol-9-yl)-5,9-diphenylcarbazole;4-tert-butyl-3-(3,6-ditert-butylcarbazol-9-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)-9-phenylcarbazole;4-tert-butyl-3-(3,5-ditert-butylphenyl)-5-(2,3,4,5,6-pentadeuteriophenyl)-9-phenylcarbazole;4-tert-butyl-5-(2,3,4,5,6-pentadeuteriophenyl)-3,9-diphenylcarbazole;4-tert-butyl-5-(2,3,4,5,6-pentadeuteriophenyl)-9-phenyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole;4-tert-butyl-9-phenyl-5-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole;3,4-ditert-butyl-5-(2,3,4,5,6-pentadeuteriophenyl)-9-phenylcarbazole
CID 164994587
3,4-ditert-butyl-5,9-bis(3,5-ditert-butylphenyl)carbazole
CID 146579007
4-tert-butyl-9-(3,5-ditert-butylphenyl)-3,5-diphenylcarbazole
CID 146578604
3-(3,6-ditert-butylcarbazol-9-yl)-4-(7-methyltridecan-7-yl)-5,9-diphenylcarbazole
CID 167289260
4-tert-butyl-3-(3,5-ditert-butylphenyl)-5-[(3,5-ditert-butylphenyl)methyl]-9-phenylcarbazole
CID 166564271
9-[2-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 176824399
9-[2-(7-tert-butyl-9-phenylcarbazol-3-yl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 176824256
4-tert-butyl-5-[3-tert-butyl-5-[1-[4-[4-tert-butyl-5-(3,5-ditert-butylphenyl)carbazol-9-yl]phenyl]-2-methylpropan-2-yl]phenyl]-3,9-diphenylcarbazole
CID 167289522
4-tert-butyl-14-phenyl-9-[2-(9-phenylcarbazol-3-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 176824227

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-carbazol-9-yl-5-(3,5-ditert-butylphenyl)-9-phenylcarbazole?
The IUPAC name of 4-tert-butyl-3-carbazol-9-yl-5-(3,5-ditert-butylphenyl)-9-phenylcarbazole (CID 146578603) is 4-tert-butyl-3-carbazol-9-yl-5-(3,5-ditert-butylphenyl)-9-phenylcarbazole.
What is the SMILES notation for 4-tert-butyl-3-carbazol-9-yl-5-(3,5-ditert-butylphenyl)-9-phenylcarbazole?
The canonical SMILES for 4-tert-butyl-3-carbazol-9-yl-5-(3,5-ditert-butylphenyl)-9-phenylcarbazole is CC(C)(C)c1cc(-c2cccc3c2c2c(C(C)(C)C)c(-n4c5ccccc5c5ccccc54)ccc2n3-c2ccccc2)cc(C(C)(C)C)c1.
What is the InChIKey of 4-tert-butyl-3-carbazol-9-yl-5-(3,5-ditert-butylphenyl)-9-phenylcarbazole?
The InChIKey is GKAZNHSTQIMQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H48N2/c1-46(2,3)32-28-31(29-33(30-32)47(4,5)6)35-22-17-25-40-43(35)44-41(49(40)34-18-11-10-12-19-34)26-27-42(45(44)48(7,8)9)50-38-23-15-13-20-36(38)37-21-14-16-24-39(37)50/h10-30H,1-9H3.
What are the key properties of 4-tert-butyl-3-carbazol-9-yl-5-(3,5-ditert-butylphenyl)-9-phenylcarbazole?
4-tert-butyl-3-carbazol-9-yl-5-(3,5-ditert-butylphenyl)-9-phenylcarbazole has a molecular weight of 652.93 g/mol, XLogP of 13.44, 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-(3,5-ditert-butylphenyl)-9-phenylcarbazole is sourced from PubChem (CID 146578603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).