9-(3-tert-butylphenyl)-2-[9-(4-tert-butylphenyl)carbazol-2-yl]carbazole

C44H40N2 — CID 126685172

IUPAC9-(3-tert-butylphenyl)-2-[9-(4-tert-butylphenyl)carbazol-2-yl]carbazole
SMILESCC(C)(C)c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c6ccccc6n(-c6cccc(C(C)(C)C)c6)c5c4)cc32)cc1
InChIInChI=1S/C44H40N2/c1-43(2,3)31-20-22-33(23-21-31)45-39-16-9-7-14-35(39)37-24-18-29(26-41(37)45)30-19-25-38-36-15-8-10-17-40(36)46(42(38)27-30)34-13-11-12-32(28-34)44(4,5)6/h7-28H,1-6H3
InChIKeyVERVVJGSZRKKPT-UHFFFAOYSA-N
MW596.82 g/mol
LogP12.14
Rot. Bonds3

About 9-(3-tert-butylphenyl)-2-[9-(4-tert-butylphenyl)carbazol-2-yl]carbazole

9-(3-tert-butylphenyl)-2-[9-(4-tert-butylphenyl)carbazol-2-yl]carbazole (PubChem CID 126685172) has the molecular formula C44H40N2 and a molecular weight of 596.82 g/mol. Its IUPAC name is 9-(3-tert-butylphenyl)-2-[9-(4-tert-butylphenyl)carbazol-2-yl]carbazole.

Molecular Properties

Compound Name9-(3-tert-butylphenyl)-2-[9-(4-tert-butylphenyl)carbazol-2-yl]carbazole
PubChem CID126685172
Molecular FormulaC44H40N2
Molecular Weight596.82 g/mol
Exact Mass596.32
IUPAC Name9-(3-tert-butylphenyl)-2-[9-(4-tert-butylphenyl)carbazol-2-yl]carbazole
SMILESCC(C)(C)c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c6ccccc6n(-c6cccc(C(C)(C)C)c6)c5c4)cc32)cc1
InChIInChI=1S/C44H40N2/c1-43(2,3)31-20-22-33(23-21-31)45-39-16-9-7-14-35(39)37-24-18-29(26-41(37)45)30-19-25-38-36-15-8-10-17-40(36)46(42(38)27-30)34-13-11-12-32(28-34)44(4,5)6/h7-28H,1-6H3
InChIKeyVERVVJGSZRKKPT-UHFFFAOYSA-N
XLogP12.14
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.82
LogP ≤ 512.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-(9-phenylcarbazol-3-yl)carbazole;9-(4-tert-butylphenyl)-3-carbazol-9-ylcarbazole;3-tert-butyl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 159742903
5-[9-[3-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-7-phenylindolo[2,3-b]carbazole
CID 167260203
2-tert-butyl-9-(4-phenylphenyl)carbazole
CID 122692449
9-(3-tert-butylphenyl)-3-[9-(3-tert-butylphenyl)carbazol-3-yl]carbazole;9-(4-tert-butylphenyl)-3-[9-(4-tert-butylphenyl)carbazol-3-yl]carbazole;N,N-diphenyl-3-[3-[9-[3-(N-phenylanilino)phenyl]carbazol-3-yl]carbazol-9-yl]aniline;N,N-diphenyl-4-[3-[9-[4-(N-phenylanilino)phenyl]carbazol-3-yl]carbazol-9-yl]aniline
CID 161395896
2-tert-butyl-9-[3-[3-(2-tert-butylcarbazol-9-yl)-5-carbazol-9-ylphenyl]phenyl]carbazole
CID 59501634
2,7-bis(3,6-ditert-butylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 121355698
9-[4-(4-tert-butylphenyl)phenyl]-2-(4-methylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 170073064
9-tert-butylcarbazole;2-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-phenylcarbazole;9-(3-tert-butylphenyl)carbazole
CID 160742117
9-tert-butylcarbazole;9-(3-tert-butyl-5-carbazol-9-ylphenyl)carbazole;2-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-phenylcarbazole;9-(3-tert-butylphenyl)carbazole;3-(3-tert-butylphenyl)-9-(4-phenylphenyl)carbazole
CID 159174538
3-[9-[3-[3-(4-tert-butylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 167259635
5-[4-(9-phenylcarbazol-2-yl)phenyl]-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 134168715
12-(3-tert-butylphenyl)-11-phenylindolo[2,3-a]carbazole
CID 170268517

Frequently Asked Questions

What is the IUPAC name of 9-(3-tert-butylphenyl)-2-[9-(4-tert-butylphenyl)carbazol-2-yl]carbazole?
The IUPAC name of 9-(3-tert-butylphenyl)-2-[9-(4-tert-butylphenyl)carbazol-2-yl]carbazole (CID 126685172) is 9-(3-tert-butylphenyl)-2-[9-(4-tert-butylphenyl)carbazol-2-yl]carbazole.
What is the SMILES notation for 9-(3-tert-butylphenyl)-2-[9-(4-tert-butylphenyl)carbazol-2-yl]carbazole?
The canonical SMILES for 9-(3-tert-butylphenyl)-2-[9-(4-tert-butylphenyl)carbazol-2-yl]carbazole is CC(C)(C)c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c6ccccc6n(-c6cccc(C(C)(C)C)c6)c5c4)cc32)cc1.
What is the InChIKey of 9-(3-tert-butylphenyl)-2-[9-(4-tert-butylphenyl)carbazol-2-yl]carbazole?
The InChIKey is VERVVJGSZRKKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H40N2/c1-43(2,3)31-20-22-33(23-21-31)45-39-16-9-7-14-35(39)37-24-18-29(26-41(37)45)30-19-25-38-36-15-8-10-17-40(36)46(42(38)27-30)34-13-11-12-32(28-34)44(4,5)6/h7-28H,1-6H3.
What are the key properties of 9-(3-tert-butylphenyl)-2-[9-(4-tert-butylphenyl)carbazol-2-yl]carbazole?
9-(3-tert-butylphenyl)-2-[9-(4-tert-butylphenyl)carbazol-2-yl]carbazole has a molecular weight of 596.82 g/mol, XLogP of 12.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-tert-butylphenyl)-2-[9-(4-tert-butylphenyl)carbazol-2-yl]carbazole is sourced from PubChem (CID 126685172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).