4-tert-butyl-5-[(3,5-ditert-butylphenyl)methyl]-9-phenylcarbazole

C37H43N — CID 166564278

IUPAC4-tert-butyl-5-[(3,5-ditert-butylphenyl)methyl]-9-phenylcarbazole
SMILESCC(C)(C)c1cc(Cc2cccc3c2c2c(C(C)(C)C)cccc2n3-c2ccccc2)cc(C(C)(C)C)c1
InChIInChI=1S/C37H43N/c1-35(2,3)27-22-25(23-28(24-27)36(4,5)6)21-26-15-13-19-31-33(26)34-30(37(7,8)9)18-14-20-32(34)38(31)29-16-11-10-12-17-29/h10-20,22-24H,21H2,1-9H3
InChIKeyGEFRQXWDHGMXQS-UHFFFAOYSA-N
MW501.76 g/mol
LogP10.27
Rot. Bonds3

About 4-tert-butyl-5-[(3,5-ditert-butylphenyl)methyl]-9-phenylcarbazole

4-tert-butyl-5-[(3,5-ditert-butylphenyl)methyl]-9-phenylcarbazole (PubChem CID 166564278) has the molecular formula C37H43N and a molecular weight of 501.76 g/mol. Its IUPAC name is 4-tert-butyl-5-[(3,5-ditert-butylphenyl)methyl]-9-phenylcarbazole.

Molecular Properties

Compound Name4-tert-butyl-5-[(3,5-ditert-butylphenyl)methyl]-9-phenylcarbazole
PubChem CID166564278
Molecular FormulaC37H43N
Molecular Weight501.76 g/mol
Exact Mass501.34
IUPAC Name4-tert-butyl-5-[(3,5-ditert-butylphenyl)methyl]-9-phenylcarbazole
SMILESCC(C)(C)c1cc(Cc2cccc3c2c2c(C(C)(C)C)cccc2n3-c2ccccc2)cc(C(C)(C)C)c1
InChIInChI=1S/C37H43N/c1-35(2,3)27-22-25(23-28(24-27)36(4,5)6)21-26-15-13-19-31-33(26)34-30(37(7,8)9)18-14-20-32(34)38(31)29-16-11-10-12-17-29/h10-20,22-24H,21H2,1-9H3
InChIKeyGEFRQXWDHGMXQS-UHFFFAOYSA-N
XLogP10.27
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.76
LogP ≤ 510.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-3-(3,5-ditert-butylphenyl)-5-[(3,5-ditert-butylphenyl)methyl]-9-phenylcarbazole
CID 166564271
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
5-tert-butyl-14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 129035048
3,4-ditert-butyl-9-phenylcarbazole
CID 146578967
1-tert-butyl-4-[4-(4-tert-butylcarbazol-9-yl)phenyl]-9-phenylcarbazole
CID 170242275
1,4-ditert-butyl-9-phenylcarbazole
CID 169010323
1-tert-butyl-5-methyl-N,N,7-triphenylbenzo[g]carbazol-9-amine
CID 143982075
4-tert-butyl-3-carbazol-9-yl-5-(3,5-ditert-butylphenyl)-9-phenylcarbazole
CID 146578603
3-(2-tert-butylphenyl)-9-phenylcarbazole
CID 165169210
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

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-[(3,5-ditert-butylphenyl)methyl]-9-phenylcarbazole?
The IUPAC name of 4-tert-butyl-5-[(3,5-ditert-butylphenyl)methyl]-9-phenylcarbazole (CID 166564278) is 4-tert-butyl-5-[(3,5-ditert-butylphenyl)methyl]-9-phenylcarbazole.
What is the SMILES notation for 4-tert-butyl-5-[(3,5-ditert-butylphenyl)methyl]-9-phenylcarbazole?
The canonical SMILES for 4-tert-butyl-5-[(3,5-ditert-butylphenyl)methyl]-9-phenylcarbazole is CC(C)(C)c1cc(Cc2cccc3c2c2c(C(C)(C)C)cccc2n3-c2ccccc2)cc(C(C)(C)C)c1.
What is the InChIKey of 4-tert-butyl-5-[(3,5-ditert-butylphenyl)methyl]-9-phenylcarbazole?
The InChIKey is GEFRQXWDHGMXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H43N/c1-35(2,3)27-22-25(23-28(24-27)36(4,5)6)21-26-15-13-19-31-33(26)34-30(37(7,8)9)18-14-20-32(34)38(31)29-16-11-10-12-17-29/h10-20,22-24H,21H2,1-9H3.
What are the key properties of 4-tert-butyl-5-[(3,5-ditert-butylphenyl)methyl]-9-phenylcarbazole?
4-tert-butyl-5-[(3,5-ditert-butylphenyl)methyl]-9-phenylcarbazole has a molecular weight of 501.76 g/mol, XLogP of 10.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-[(3,5-ditert-butylphenyl)methyl]-9-phenylcarbazole is sourced from PubChem (CID 166564278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).