2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-3H-benzo[e]indole

C26H27N — CID 141273774

IUPAC2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-3H-benzo[e]indole
SMILESCC1(C)CCC(C)(C)c2cc(-c3cc4c(ccc5ccccc54)[nH]3)ccc21
InChIInChI=1S/C26H27N/c1-25(2)13-14-26(3,4)22-15-18(9-11-21(22)25)24-16-20-19-8-6-5-7-17(19)10-12-23(20)27-24/h5-12,15-16,27H,13-14H2,1-4H3
InChIKeyFYZMXPNEZCQQIZ-UHFFFAOYSA-N
MW353.51 g/mol
LogP7.34
Rot. Bonds1

About 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-3H-benzo[e]indole

2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-3H-benzo[e]indole (PubChem CID 141273774) has the molecular formula C26H27N and a molecular weight of 353.51 g/mol. Its IUPAC name is 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-3H-benzo[e]indole.

Molecular Properties

Compound Name2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-3H-benzo[e]indole
PubChem CID141273774
Molecular FormulaC26H27N
Molecular Weight353.51 g/mol
Exact Mass353.21
IUPAC Name2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-3H-benzo[e]indole
SMILESCC1(C)CCC(C)(C)c2cc(-c3cc4c(ccc5ccccc54)[nH]3)ccc21
InChIInChI=1S/C26H27N/c1-25(2)13-14-26(3,4)22-15-18(9-11-21(22)25)24-16-20-19-8-6-5-7-17(19)10-12-23(20)27-24/h5-12,15-16,27H,13-14H2,1-4H3
InChIKeyFYZMXPNEZCQQIZ-UHFFFAOYSA-N
XLogP7.34
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.51
LogP ≤ 57.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1H-indol-6-yl] hydrogen carbonate
CID 23170694
N-(2-aminophenyl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1H-indole-5-carboxamide
CID 118569828
2-phenanthren-9-yl-4-(4-phenylphenyl)-6-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171748971
5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-7H-indolo[2,3-b]carbazole
CID 167267797
5,5,8,8-tetramethyl-N-naphthalen-1-yl-N-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]phenyl]-6,7-dihydronaphthalen-2-amine
CID 170223504
2-dibenzothiophen-3-yl-4-(4-naphthalen-1-ylphenyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,5-triazine
CID 171749128
2-thiophen-2-yl-3H-benzo[e]indole
CID 131886269
5,5,8,8-tetramethyl-N-naphthalen-1-yl-6,7-dihydronaphthalen-2-amine
CID 170774428
2-phenyl-4-(4-phenylphenyl)-6-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazine
CID 171749065
2,4-diphenyl-6-[10-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]anthracen-9-yl]-1,3,5-triazine
CID 171748924
2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylphenyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,5-triazine
CID 171749149
1,1,4,4-tetramethyl-6-phenyl-2,3-dihydroanthracene
CID 10470919

Frequently Asked Questions

What is the IUPAC name of 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-3H-benzo[e]indole?
The IUPAC name of 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-3H-benzo[e]indole (CID 141273774) is 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-3H-benzo[e]indole.
What is the SMILES notation for 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-3H-benzo[e]indole?
The canonical SMILES for 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-3H-benzo[e]indole is CC1(C)CCC(C)(C)c2cc(-c3cc4c(ccc5ccccc54)[nH]3)ccc21.
What is the InChIKey of 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-3H-benzo[e]indole?
The InChIKey is FYZMXPNEZCQQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N/c1-25(2)13-14-26(3,4)22-15-18(9-11-21(22)25)24-16-20-19-8-6-5-7-17(19)10-12-23(20)27-24/h5-12,15-16,27H,13-14H2,1-4H3.
What are the key properties of 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-3H-benzo[e]indole?
2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-3H-benzo[e]indole has a molecular weight of 353.51 g/mol, XLogP of 7.34, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-3H-benzo[e]indole is sourced from PubChem (CID 141273774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).