3,6-ditert-butyl-9-[4-[(3-methylphenyl)methyl]phenyl]carbazole

C34H37N — CID 145348013

IUPAC3,6-ditert-butyl-9-[4-[(3-methylphenyl)methyl]phenyl]carbazole
SMILESCc1cccc(Cc2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc2)c1
InChIInChI=1S/C34H37N/c1-23-9-8-10-25(19-23)20-24-11-15-28(16-12-24)35-31-17-13-26(33(2,3)4)21-29(31)30-22-27(34(5,6)7)14-18-32(30)35/h8-19,21-22H,20H2,1-7H3
InChIKeyUSMXIVNIWWGYKA-UHFFFAOYSA-N
MW459.68 g/mol
LogP9.28
Rot. Bonds3

About 3,6-ditert-butyl-9-[4-[(3-methylphenyl)methyl]phenyl]carbazole

3,6-ditert-butyl-9-[4-[(3-methylphenyl)methyl]phenyl]carbazole (PubChem CID 145348013) has the molecular formula C34H37N and a molecular weight of 459.68 g/mol. Its IUPAC name is 3,6-ditert-butyl-9-[4-[(3-methylphenyl)methyl]phenyl]carbazole.

Molecular Properties

Compound Name3,6-ditert-butyl-9-[4-[(3-methylphenyl)methyl]phenyl]carbazole
PubChem CID145348013
Molecular FormulaC34H37N
Molecular Weight459.68 g/mol
Exact Mass459.29
IUPAC Name3,6-ditert-butyl-9-[4-[(3-methylphenyl)methyl]phenyl]carbazole
SMILESCc1cccc(Cc2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc2)c1
InChIInChI=1S/C34H37N/c1-23-9-8-10-25(19-23)20-24-11-15-28(16-12-24)35-31-17-13-26(33(2,3)4)21-29(31)30-22-27(34(5,6)7)14-18-32(30)35/h8-19,21-22H,20H2,1-7H3
InChIKeyUSMXIVNIWWGYKA-UHFFFAOYSA-N
XLogP9.28
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.68
LogP ≤ 59.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-[4-[(3-methylphenyl)methyl]phenyl]carbazole
CID 143035757
3-benzyl-6-(3-methylphenyl)-9-phenylcarbazole
CID 146531656
9-[3,5-bis(3-tert-butyl-6-methylcarbazol-9-yl)phenyl]-3-tert-butyl-6-methylcarbazole
CID 59399788
1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 129029518
4-[[4-(3,6-dimethylcarbazol-9-yl)phenyl]methyl]aniline
CID 143119094
9-(4-bromophenyl)-3,6-ditert-butylcarbazole
CID 139082644
N-tert-butyl-N-[4-[[9-(4-tert-butylphenyl)carbazol-2-yl]methyl]phenyl]-4-methylaniline
CID 167136634
3-tert-butyl-6-[4-[4-[10-[4-[4-[6-tert-butyl-9-(3-methylphenyl)carbazol-3-yl]phenyl]phenyl]-2,3,6,7-tetramethylanthracen-9-yl]phenyl]phenyl]-9-phenylcarbazole;3-tert-butyl-6-[4-[10-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]-2,3,6,7-tetramethylanthracen-9-yl]phenyl]-9-phenylcarbazole
CID 162186342
9-(4-tert-butylphenyl)-3,6-di(carbazol-9-yl)carbazole;3,6-di(carbazol-9-yl)-9-(3-methylphenyl)carbazole;3,6-di(carbazol-9-yl)-9-(3-phenylphenyl)carbazole
CID 161086909
9-(4-tert-butylphenyl)-3,6-di(carbazol-9-yl)carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-phenylcarbazol-3-yl]carbazole;3,6-di(carbazol-9-yl)-9-(4-methylphenyl)carbazole
CID 158450509
3-(3-tert-butylcarbazol-9-yl)-6-carbazol-9-yl-9-phenylcarbazole
CID 59399314
3,6-ditert-butyl-9-(3-carbazol-9-ylphenyl)carbazole
CID 59399108

Frequently Asked Questions

What is the IUPAC name of 3,6-ditert-butyl-9-[4-[(3-methylphenyl)methyl]phenyl]carbazole?
The IUPAC name of 3,6-ditert-butyl-9-[4-[(3-methylphenyl)methyl]phenyl]carbazole (CID 145348013) is 3,6-ditert-butyl-9-[4-[(3-methylphenyl)methyl]phenyl]carbazole.
What is the SMILES notation for 3,6-ditert-butyl-9-[4-[(3-methylphenyl)methyl]phenyl]carbazole?
The canonical SMILES for 3,6-ditert-butyl-9-[4-[(3-methylphenyl)methyl]phenyl]carbazole is Cc1cccc(Cc2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc2)c1.
What is the InChIKey of 3,6-ditert-butyl-9-[4-[(3-methylphenyl)methyl]phenyl]carbazole?
The InChIKey is USMXIVNIWWGYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N/c1-23-9-8-10-25(19-23)20-24-11-15-28(16-12-24)35-31-17-13-26(33(2,3)4)21-29(31)30-22-27(34(5,6)7)14-18-32(30)35/h8-19,21-22H,20H2,1-7H3.
What are the key properties of 3,6-ditert-butyl-9-[4-[(3-methylphenyl)methyl]phenyl]carbazole?
3,6-ditert-butyl-9-[4-[(3-methylphenyl)methyl]phenyl]carbazole has a molecular weight of 459.68 g/mol, XLogP of 9.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-ditert-butyl-9-[4-[(3-methylphenyl)methyl]phenyl]carbazole is sourced from PubChem (CID 145348013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).