6,6,8,8-tetramethyl-1,7-diphenyl-7H-cyclopenta[g]isoquinoline

C28H27N — CID 162503638

IUPAC6,6,8,8-tetramethyl-1,7-diphenyl-7H-cyclopenta[g]isoquinoline
SMILESCC1(C)c2cc3ccnc(-c4ccccc4)c3cc2C(C)(C)C1c1ccccc1
InChIInChI=1S/C28H27N/c1-27(2)23-17-21-15-16-29-25(19-11-7-5-8-12-19)22(21)18-24(23)28(3,4)26(27)20-13-9-6-10-14-20/h5-18,26H,1-4H3
InChIKeyGBDJGVRJXBIERE-UHFFFAOYSA-N
MW377.53 g/mol
LogP7.25
Rot. Bonds2

About 6,6,8,8-tetramethyl-1,7-diphenyl-7H-cyclopenta[g]isoquinoline

6,6,8,8-tetramethyl-1,7-diphenyl-7H-cyclopenta[g]isoquinoline (PubChem CID 162503638) has the molecular formula C28H27N and a molecular weight of 377.53 g/mol. Its IUPAC name is 6,6,8,8-tetramethyl-1,7-diphenyl-7H-cyclopenta[g]isoquinoline.

Molecular Properties

Compound Name6,6,8,8-tetramethyl-1,7-diphenyl-7H-cyclopenta[g]isoquinoline
PubChem CID162503638
Molecular FormulaC28H27N
Molecular Weight377.53 g/mol
Exact Mass377.21
IUPAC Name6,6,8,8-tetramethyl-1,7-diphenyl-7H-cyclopenta[g]isoquinoline
SMILESCC1(C)c2cc3ccnc(-c4ccccc4)c3cc2C(C)(C)C1c1ccccc1
InChIInChI=1S/C28H27N/c1-27(2)23-17-21-15-16-29-25(19-11-7-5-8-12-19)22(21)18-24(23)28(3,4)26(27)20-13-9-6-10-14-20/h5-18,26H,1-4H3
InChIKeyGBDJGVRJXBIERE-UHFFFAOYSA-N
XLogP7.25
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.53
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,12-dimethyl-5-(4-phenylphenyl)-6-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2(11),3,5,7,9-pentaene
CID 90076677
(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium;6,6,8,8-tetramethyl-7-phenyl-1-phenyl-7H-cyclopenta[g]isoquinoline
CID 162503637
6,6,9,9-tetramethyl-1-(4-phenylcyclohexa-1,3-dien-1-yl)-7,8-dihydrobenzo[g]isoquinoline
CID 118300282
7-methoxy-1-phenylisoquinoline
CID 86087026
carbanide;iridium;1-phenylisoquinoline
CID 166502152
1-phenylisoquinolin-6-ol
CID 136504115
1-[3-[7-(3-isoquinolin-1-ylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]isoquinoline
CID 58881218
1-(9,9,10,10-tetramethyl-6,7-diphenylanthracen-2-yl)-6,7,8,9-tetrahydrobenzo[g]isoquinoline
CID 58983418
15,15,18,18-tetramethyl-5-phenyl-12-thia-6-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),20-octaene
CID 170678582
1-[3-(9,9-dimethylfluoren-2-yl)phenyl]isoquinoline
CID 53488142
8-methyl-1-phenylnaphtho[2,1-f]isoquinoline
CID 118595090
7-(4-cyclohexylphenyl)-1-phenylisoquinoline
CID 156674472

Frequently Asked Questions

What is the IUPAC name of 6,6,8,8-tetramethyl-1,7-diphenyl-7H-cyclopenta[g]isoquinoline?
The IUPAC name of 6,6,8,8-tetramethyl-1,7-diphenyl-7H-cyclopenta[g]isoquinoline (CID 162503638) is 6,6,8,8-tetramethyl-1,7-diphenyl-7H-cyclopenta[g]isoquinoline.
What is the SMILES notation for 6,6,8,8-tetramethyl-1,7-diphenyl-7H-cyclopenta[g]isoquinoline?
The canonical SMILES for 6,6,8,8-tetramethyl-1,7-diphenyl-7H-cyclopenta[g]isoquinoline is CC1(C)c2cc3ccnc(-c4ccccc4)c3cc2C(C)(C)C1c1ccccc1.
What is the InChIKey of 6,6,8,8-tetramethyl-1,7-diphenyl-7H-cyclopenta[g]isoquinoline?
The InChIKey is GBDJGVRJXBIERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N/c1-27(2)23-17-21-15-16-29-25(19-11-7-5-8-12-19)22(21)18-24(23)28(3,4)26(27)20-13-9-6-10-14-20/h5-18,26H,1-4H3.
What are the key properties of 6,6,8,8-tetramethyl-1,7-diphenyl-7H-cyclopenta[g]isoquinoline?
6,6,8,8-tetramethyl-1,7-diphenyl-7H-cyclopenta[g]isoquinoline has a molecular weight of 377.53 g/mol, XLogP of 7.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,8,8-tetramethyl-1,7-diphenyl-7H-cyclopenta[g]isoquinoline is sourced from PubChem (CID 162503638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).