8-tert-butyl-1-methyl-3-phenylbenzo[g]indole

C23H23N — CID 101437835

IUPAC8-tert-butyl-1-methyl-3-phenylbenzo[g]indole
SMILESCn1cc(-c2ccccc2)c2ccc3ccc(C(C)(C)C)cc3c21
InChIInChI=1S/C23H23N/c1-23(2,3)18-12-10-17-11-13-19-21(16-8-6-5-7-9-16)15-24(4)22(19)20(17)14-18/h5-15H,1-4H3
InChIKeyBGPSBRHXCFAENG-UHFFFAOYSA-N
MW313.44 g/mol
LogP6.30
Rot. Bonds1

About 8-tert-butyl-1-methyl-3-phenylbenzo[g]indole

8-tert-butyl-1-methyl-3-phenylbenzo[g]indole (PubChem CID 101437835) has the molecular formula C23H23N and a molecular weight of 313.44 g/mol. Its IUPAC name is 8-tert-butyl-1-methyl-3-phenylbenzo[g]indole.

Molecular Properties

Compound Name8-tert-butyl-1-methyl-3-phenylbenzo[g]indole
PubChem CID101437835
Molecular FormulaC23H23N
Molecular Weight313.44 g/mol
Exact Mass313.18
IUPAC Name8-tert-butyl-1-methyl-3-phenylbenzo[g]indole
SMILESCn1cc(-c2ccccc2)c2ccc3ccc(C(C)(C)C)cc3c21
InChIInChI=1S/C23H23N/c1-23(2,3)18-12-10-17-11-13-19-21(16-8-6-5-7-9-16)15-24(4)22(19)20(17)14-18/h5-15H,1-4H3
InChIKeyBGPSBRHXCFAENG-UHFFFAOYSA-N
XLogP6.30
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.44
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-tert-butyl-8-(8-tert-butyl-6,12-diphenylchrysen-2-yl)-6,12-diphenylchrysene
CID 58501303
2,6-ditert-butyl-9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene
CID 140869806
9,24-ditert-butyl-13,28-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene
CID 155399071
2,6-ditert-butyl-9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 140869785
6-tert-butyl-3,4-diphenylnaphthalen-1-ol
CID 138969967
4-tert-butyl-1,2-diphenylbenzene;sulfane
CID 174786417
2-tert-butylchrysene;2-tert-butylphenanthrene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-3-(3-phenylphenyl)benzene;1-tert-butyl-3-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene;3-tert-butylpicene
CID 158261275
2,6-ditert-butyl-9-(4-naphthalen-2-ylphenyl)-10-(2-phenylphenyl)anthracene
CID 58830813
9-tert-butyl-4-(4-phenylphenyl)benzo[f]isoquinoline
CID 118566740
1-(4-tert-butylphenyl)phenanthrene
CID 160779403
2-tert-butylphenanthrene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-3-(3-phenylphenyl)benzene;1-tert-butyl-3-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-4-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene;1-tert-butyl-4-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene
CID 167578783
1-tert-butyl-2,6-diphenylnaphthalene
CID 169050130

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-1-methyl-3-phenylbenzo[g]indole?
The IUPAC name of 8-tert-butyl-1-methyl-3-phenylbenzo[g]indole (CID 101437835) is 8-tert-butyl-1-methyl-3-phenylbenzo[g]indole.
What is the SMILES notation for 8-tert-butyl-1-methyl-3-phenylbenzo[g]indole?
The canonical SMILES for 8-tert-butyl-1-methyl-3-phenylbenzo[g]indole is Cn1cc(-c2ccccc2)c2ccc3ccc(C(C)(C)C)cc3c21.
What is the InChIKey of 8-tert-butyl-1-methyl-3-phenylbenzo[g]indole?
The InChIKey is BGPSBRHXCFAENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N/c1-23(2,3)18-12-10-17-11-13-19-21(16-8-6-5-7-9-16)15-24(4)22(19)20(17)14-18/h5-15H,1-4H3.
What are the key properties of 8-tert-butyl-1-methyl-3-phenylbenzo[g]indole?
8-tert-butyl-1-methyl-3-phenylbenzo[g]indole has a molecular weight of 313.44 g/mol, XLogP of 6.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-1-methyl-3-phenylbenzo[g]indole is sourced from PubChem (CID 101437835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).