2-tert-butyl-9-(4-phenylphenyl)-7-[9-(4-propan-2-ylphenyl)carbazol-2-yl]carbazole

C49H42N2 — CID 134419811

IUPAC2-tert-butyl-9-(4-phenylphenyl)-7-[9-(4-propan-2-ylphenyl)carbazol-2-yl]carbazole
SMILESCC(C)c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c6ccc(C(C)(C)C)cc6n(-c6ccc(-c7ccccc7)cc6)c5c4)cc32)cc1
InChIInChI=1S/C49H42N2/c1-32(2)33-15-22-39(23-16-33)50-45-14-10-9-13-41(45)42-26-19-36(29-46(42)50)37-20-27-43-44-28-21-38(49(3,4)5)31-48(44)51(47(43)30-37)40-24-17-35(18-25-40)34-11-7-6-8-12-34/h6-32H,1-5H3
InChIKeyBXMZJAMKZTYJIQ-UHFFFAOYSA-N
MW658.89 g/mol
LogP13.64
Rot. Bonds5

About 2-tert-butyl-9-(4-phenylphenyl)-7-[9-(4-propan-2-ylphenyl)carbazol-2-yl]carbazole

2-tert-butyl-9-(4-phenylphenyl)-7-[9-(4-propan-2-ylphenyl)carbazol-2-yl]carbazole (PubChem CID 134419811) has the molecular formula C49H42N2 and a molecular weight of 658.89 g/mol. Its IUPAC name is 2-tert-butyl-9-(4-phenylphenyl)-7-[9-(4-propan-2-ylphenyl)carbazol-2-yl]carbazole.

Molecular Properties

Compound Name2-tert-butyl-9-(4-phenylphenyl)-7-[9-(4-propan-2-ylphenyl)carbazol-2-yl]carbazole
PubChem CID134419811
Molecular FormulaC49H42N2
Molecular Weight658.89 g/mol
Exact Mass658.33
IUPAC Name2-tert-butyl-9-(4-phenylphenyl)-7-[9-(4-propan-2-ylphenyl)carbazol-2-yl]carbazole
SMILESCC(C)c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c6ccc(C(C)(C)C)cc6n(-c6ccc(-c7ccccc7)cc6)c5c4)cc32)cc1
InChIInChI=1S/C49H42N2/c1-32(2)33-15-22-39(23-16-33)50-45-14-10-9-13-41(45)42-26-19-36(29-46(42)50)37-20-27-43-44-28-21-38(49(3,4)5)31-48(44)51(47(43)30-37)40-24-17-35(18-25-40)34-11-7-6-8-12-34/h6-32H,1-5H3
InChIKeyBXMZJAMKZTYJIQ-UHFFFAOYSA-N
XLogP13.64
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.89
LogP ≤ 513.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-9-(4-phenylphenyl)carbazole
CID 122692449
9-[4-(4-tert-butylphenyl)phenyl]-2-(4-methylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 170073064
9-(4-tert-butylphenyl)-3-propan-2-ylcarbazole
CID 170191749
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
9-(4-phenylphenyl)-2-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 121285556
2-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 170072600
2-(9-phenylcarbazol-2-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 142356248
9-(3-tert-butylphenyl)-2-[9-(4-tert-butylphenyl)carbazol-2-yl]carbazole
CID 126685172
9-(4-propan-2-ylphenyl)-3-[3-[9-[9-(4-propan-2-ylphenyl)carbazol-3-yl]carbazol-3-yl]carbazol-9-yl]carbazole
CID 71232684
3,6-diphenyl-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118084405
6-(4-carbazol-9-ylphenyl)-2,9-diphenylcarbazole
CID 126682018
6-(9-phenylcarbazol-3-yl)-2,9-bis(4-phenylphenyl)carbazole
CID 137400811

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-9-(4-phenylphenyl)-7-[9-(4-propan-2-ylphenyl)carbazol-2-yl]carbazole?
The IUPAC name of 2-tert-butyl-9-(4-phenylphenyl)-7-[9-(4-propan-2-ylphenyl)carbazol-2-yl]carbazole (CID 134419811) is 2-tert-butyl-9-(4-phenylphenyl)-7-[9-(4-propan-2-ylphenyl)carbazol-2-yl]carbazole.
What is the SMILES notation for 2-tert-butyl-9-(4-phenylphenyl)-7-[9-(4-propan-2-ylphenyl)carbazol-2-yl]carbazole?
The canonical SMILES for 2-tert-butyl-9-(4-phenylphenyl)-7-[9-(4-propan-2-ylphenyl)carbazol-2-yl]carbazole is CC(C)c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c6ccc(C(C)(C)C)cc6n(-c6ccc(-c7ccccc7)cc6)c5c4)cc32)cc1.
What is the InChIKey of 2-tert-butyl-9-(4-phenylphenyl)-7-[9-(4-propan-2-ylphenyl)carbazol-2-yl]carbazole?
The InChIKey is BXMZJAMKZTYJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H42N2/c1-32(2)33-15-22-39(23-16-33)50-45-14-10-9-13-41(45)42-26-19-36(29-46(42)50)37-20-27-43-44-28-21-38(49(3,4)5)31-48(44)51(47(43)30-37)40-24-17-35(18-25-40)34-11-7-6-8-12-34/h6-32H,1-5H3.
What are the key properties of 2-tert-butyl-9-(4-phenylphenyl)-7-[9-(4-propan-2-ylphenyl)carbazol-2-yl]carbazole?
2-tert-butyl-9-(4-phenylphenyl)-7-[9-(4-propan-2-ylphenyl)carbazol-2-yl]carbazole has a molecular weight of 658.89 g/mol, XLogP of 13.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-9-(4-phenylphenyl)-7-[9-(4-propan-2-ylphenyl)carbazol-2-yl]carbazole is sourced from PubChem (CID 134419811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).