6,6,12,12-tetramethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]indeno[1,2-b]fluorene

C50H38 — CID 140710753

IUPAC6,6,12,12-tetramethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]indeno[1,2-b]fluorene
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)-c1ccc(-c2cccc(-c4ccc5cc(-c6ccc7ccccc7c6)ccc5c4)c2)cc1C3(C)C
InChIInChI=1S/C50H38/c1-49(2)45-15-8-7-14-41(45)43-29-48-44(30-47(43)49)42-23-22-40(28-46(42)50(48,3)4)34-13-9-12-33(25-34)35-18-19-39-27-38(21-20-37(39)26-35)36-17-16-31-10-5-6-11-32(31)24-36/h5-30H,1-4H3
InChIKeyGLURQNVNQXBTJG-UHFFFAOYSA-N
MW638.85 g/mol
LogP13.61
Rot. Bonds3

About 6,6,12,12-tetramethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]indeno[1,2-b]fluorene

6,6,12,12-tetramethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]indeno[1,2-b]fluorene (PubChem CID 140710753) has the molecular formula C50H38 and a molecular weight of 638.85 g/mol. Its IUPAC name is 6,6,12,12-tetramethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]indeno[1,2-b]fluorene.

Molecular Properties

Compound Name6,6,12,12-tetramethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]indeno[1,2-b]fluorene
PubChem CID140710753
Molecular FormulaC50H38
Molecular Weight638.85 g/mol
Exact Mass638.30
IUPAC Name6,6,12,12-tetramethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]indeno[1,2-b]fluorene
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)-c1ccc(-c2cccc(-c4ccc5cc(-c6ccc7ccccc7c6)ccc5c4)c2)cc1C3(C)C
InChIInChI=1S/C50H38/c1-49(2)45-15-8-7-14-41(45)43-29-48-44(30-47(43)49)42-23-22-40(28-46(42)50(48,3)4)34-13-9-12-33(25-34)35-18-19-39-27-38(21-20-37(39)26-35)36-17-16-31-10-5-6-11-32(31)24-36/h5-30H,1-4H3
InChIKeyGLURQNVNQXBTJG-UHFFFAOYSA-N
XLogP13.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.85
LogP ≤ 513.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 6,6,12,12-tetramethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]indeno[1,2-b]fluorene with MolForge

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Related Compounds

2-(9,9-dimethylfluoren-2-yl)-7-[7-[7-[7-[9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 123392580
2-(9,9-dimethylfluoren-2-yl)-7-[9,9-dimethyl-7-[4-(4-naphthalen-2-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene
CID 123709509
9,9-dimethyl-2-naphthalen-2-yl-7-[3-(4-phenylphenyl)phenyl]fluorene
CID 59217136
2-[9,9-dimethyl-7-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-2-yl]-9,9-dimethyl-7-(3-phenylphenyl)fluorene
CID 123207992
2-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluorene
CID 59133445
2-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]-9,9-dimethylfluorene
CID 58351434
2-[9,9-dimethyl-7-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]fluoren-2-yl]-9,9-dimethyl-7-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]fluorene
CID 123193635
9,9-dimethyl-2-naphthalen-2-yl-7-(3-naphthalen-1-ylphenyl)fluorene
CID 59217063
2-(9,9-dimethylfluoren-2-yl)-9,10-bis(3-naphthalen-2-ylphenyl)anthracene
CID 143930053
2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 118427115
2-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylpyridine
CID 175358146
6,6,12,12-tetramethyl-2-(6-naphthalen-2-ylpyren-1-yl)indeno[1,2-b]fluorene
CID 59390153

Frequently Asked Questions

What is the IUPAC name of 6,6,12,12-tetramethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]indeno[1,2-b]fluorene?
The IUPAC name of 6,6,12,12-tetramethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]indeno[1,2-b]fluorene (CID 140710753) is 6,6,12,12-tetramethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]indeno[1,2-b]fluorene.
What is the SMILES notation for 6,6,12,12-tetramethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]indeno[1,2-b]fluorene?
The canonical SMILES for 6,6,12,12-tetramethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]indeno[1,2-b]fluorene is CC1(C)c2ccccc2-c2cc3c(cc21)-c1ccc(-c2cccc(-c4ccc5cc(-c6ccc7ccccc7c6)ccc5c4)c2)cc1C3(C)C.
What is the InChIKey of 6,6,12,12-tetramethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]indeno[1,2-b]fluorene?
The InChIKey is GLURQNVNQXBTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H38/c1-49(2)45-15-8-7-14-41(45)43-29-48-44(30-47(43)49)42-23-22-40(28-46(42)50(48,3)4)34-13-9-12-33(25-34)35-18-19-39-27-38(21-20-37(39)26-35)36-17-16-31-10-5-6-11-32(31)24-36/h5-30H,1-4H3.
What are the key properties of 6,6,12,12-tetramethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]indeno[1,2-b]fluorene?
6,6,12,12-tetramethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]indeno[1,2-b]fluorene has a molecular weight of 638.85 g/mol, XLogP of 13.61, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,12,12-tetramethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]indeno[1,2-b]fluorene is sourced from PubChem (CID 140710753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).