11,11,12,12-tetramethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)-5-propan-2-ylphenyl]indeno[2,1-a]fluorene

C53H44 — CID 140710806

IUPAC11,11,12,12-tetramethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)-5-propan-2-ylphenyl]indeno[2,1-a]fluorene
SMILESCC(C)c1cc(-c2ccc3c(c2)C(C)(C)c2c-3ccc3c2C(C)(C)c2ccccc2-3)cc(-c2ccc3cc(-c4ccc5ccccc5c4)ccc3c2)c1
InChIInChI=1S/C53H44/c1-32(2)41-28-42(39-20-19-37-26-36(17-18-38(37)27-39)35-16-15-33-11-7-8-12-34(33)25-35)30-43(29-41)40-21-22-45-47-24-23-46-44-13-9-10-14-48(44)52(3,4)50(46)51(47)53(5,6)49(45)31-40/h7-32H,1-6H3
InChIKeyPLKRVLORKKNINB-UHFFFAOYSA-N
MW680.94 g/mol
LogP14.73
Rot. Bonds4

About 11,11,12,12-tetramethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)-5-propan-2-ylphenyl]indeno[2,1-a]fluorene

11,11,12,12-tetramethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)-5-propan-2-ylphenyl]indeno[2,1-a]fluorene (PubChem CID 140710806) has the molecular formula C53H44 and a molecular weight of 680.94 g/mol. Its IUPAC name is 11,11,12,12-tetramethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)-5-propan-2-ylphenyl]indeno[2,1-a]fluorene.

Molecular Properties

Compound Name11,11,12,12-tetramethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)-5-propan-2-ylphenyl]indeno[2,1-a]fluorene
PubChem CID140710806
Molecular FormulaC53H44
Molecular Weight680.94 g/mol
Exact Mass680.34
IUPAC Name11,11,12,12-tetramethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)-5-propan-2-ylphenyl]indeno[2,1-a]fluorene
SMILESCC(C)c1cc(-c2ccc3c(c2)C(C)(C)c2c-3ccc3c2C(C)(C)c2ccccc2-3)cc(-c2ccc3cc(-c4ccc5ccccc5c4)ccc3c2)c1
InChIInChI=1S/C53H44/c1-32(2)41-28-42(39-20-19-37-26-36(17-18-38(37)27-39)35-16-15-33-11-7-8-12-34(33)25-35)30-43(29-41)40-21-22-45-47-24-23-46-44-13-9-10-14-48(44)52(3,4)50(46)51(47)53(5,6)49(45)31-40/h7-32H,1-6H3
InChIKeyPLKRVLORKKNINB-UHFFFAOYSA-N
XLogP14.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.94
LogP ≤ 514.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9,9-dimethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)-5-propan-2-ylphenyl]fluorene
CID 140710796
7,7,12,12-tetramethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)-5-propan-2-ylphenyl]indeno[1,2-c]fluorene
CID 140710817
6,6,12,12-tetramethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]indeno[1,2-b]fluorene
CID 140710753
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
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-[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)-4-naphthalen-2-yl-6-(7-naphthalen-2-ylnaphthalen-2-yl)-1,3,5-triazine
CID 176588450
11,11,12,12-tetramethyl-2-[3-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]indeno[2,1-a]fluorene
CID 140710807
11,11-dimethyl-9-naphthalen-2-ylbenzo[a]fluorene
CID 144938907
9,9-dimethyl-2-naphthalen-2-yl-7-[3-(4-phenylphenyl)phenyl]fluorene
CID 59217136

Frequently Asked Questions

What is the IUPAC name of 11,11,12,12-tetramethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)-5-propan-2-ylphenyl]indeno[2,1-a]fluorene?
The IUPAC name of 11,11,12,12-tetramethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)-5-propan-2-ylphenyl]indeno[2,1-a]fluorene (CID 140710806) is 11,11,12,12-tetramethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)-5-propan-2-ylphenyl]indeno[2,1-a]fluorene.
What is the SMILES notation for 11,11,12,12-tetramethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)-5-propan-2-ylphenyl]indeno[2,1-a]fluorene?
The canonical SMILES for 11,11,12,12-tetramethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)-5-propan-2-ylphenyl]indeno[2,1-a]fluorene is CC(C)c1cc(-c2ccc3c(c2)C(C)(C)c2c-3ccc3c2C(C)(C)c2ccccc2-3)cc(-c2ccc3cc(-c4ccc5ccccc5c4)ccc3c2)c1.
What is the InChIKey of 11,11,12,12-tetramethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)-5-propan-2-ylphenyl]indeno[2,1-a]fluorene?
The InChIKey is PLKRVLORKKNINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H44/c1-32(2)41-28-42(39-20-19-37-26-36(17-18-38(37)27-39)35-16-15-33-11-7-8-12-34(33)25-35)30-43(29-41)40-21-22-45-47-24-23-46-44-13-9-10-14-48(44)52(3,4)50(46)51(47)53(5,6)49(45)31-40/h7-32H,1-6H3.
What are the key properties of 11,11,12,12-tetramethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)-5-propan-2-ylphenyl]indeno[2,1-a]fluorene?
11,11,12,12-tetramethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)-5-propan-2-ylphenyl]indeno[2,1-a]fluorene has a molecular weight of 680.94 g/mol, XLogP of 14.73, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11,12,12-tetramethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)-5-propan-2-ylphenyl]indeno[2,1-a]fluorene is sourced from PubChem (CID 140710806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).