11,11,12,12-tetramethyl-2-[3-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]indeno[2,1-a]fluorene

C50H38 — CID 140710807

IUPAC11,11,12,12-tetramethyl-2-[3-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]indeno[2,1-a]fluorene
SMILESCC1(C)c2ccccc2-c2ccc3c(c21)C(C)(C)c1cc(-c2cc(-c4ccc5ccc(-c6ccccc6)cc5c4)cc4ccccc24)ccc1-3
InChIInChI=1S/C50H38/c1-49(2)45-17-11-10-16-40(45)42-24-25-43-41-23-22-36(30-46(41)50(3,4)48(43)47(42)49)44-29-38(28-35-14-8-9-15-39(35)44)34-21-19-32-18-20-33(26-37(32)27-34)31-12-6-5-7-13-31/h5-30H,1-4H3
InChIKeyBZPYSJGWLVVIOG-UHFFFAOYSA-N
MW638.85 g/mol
LogP13.61
Rot. Bonds3

About 11,11,12,12-tetramethyl-2-[3-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]indeno[2,1-a]fluorene

11,11,12,12-tetramethyl-2-[3-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]indeno[2,1-a]fluorene (PubChem CID 140710807) has the molecular formula C50H38 and a molecular weight of 638.85 g/mol. Its IUPAC name is 11,11,12,12-tetramethyl-2-[3-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]indeno[2,1-a]fluorene.

Molecular Properties

Compound Name11,11,12,12-tetramethyl-2-[3-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]indeno[2,1-a]fluorene
PubChem CID140710807
Molecular FormulaC50H38
Molecular Weight638.85 g/mol
Exact Mass638.30
IUPAC Name11,11,12,12-tetramethyl-2-[3-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]indeno[2,1-a]fluorene
SMILESCC1(C)c2ccccc2-c2ccc3c(c21)C(C)(C)c1cc(-c2cc(-c4ccc5ccc(-c6ccccc6)cc5c4)cc4ccccc24)ccc1-3
InChIInChI=1S/C50H38/c1-49(2)45-17-11-10-16-40(45)42-24-25-43-41-23-22-36(30-46(41)50(3,4)48(43)47(42)49)44-29-38(28-35-14-8-9-15-39(35)44)34-21-19-32-18-20-33(26-37(32)27-34)31-12-6-5-7-13-31/h5-30H,1-4H3
InChIKeyBZPYSJGWLVVIOG-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

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Related Compounds

7,7,12,12-tetramethyl-2-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]indeno[1,2-c]fluorene;7,7,12,12-tetramethyl-9-naphthalen-2-yl-2-(6-naphthalen-2-ylnaphthalen-2-yl)indeno[1,2-c]fluorene;9,9,14,14-tetramethyl-6-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 162101596
10,10,12,12-tetramethyl-8-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]indeno[2,1-b]fluorene
CID 140710765
2-[4-(11,11-dimethylbenzo[a]fluoren-3-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 155465824
9-[7-[5-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]naphthalen-2-yl]phenanthrene
CID 58569626
7,7-dimethyl-5-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]benzo[c]fluorene;9,9-dimethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluorene;10-naphthalen-2-yl-21-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene;21-[3-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 157412657
9,9-dimethyl-2-naphthalen-2-yl-7-(3-naphthalen-1-ylphenyl)fluorene
CID 59217063
10-[3-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]-7,7,12,12-tetramethylindeno[1,2-c]fluorene;6,6,12,12-tetramethyl-2-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]indeno[1,2-b]fluorene;6,6,12,12-tetramethyl-8-naphthalen-2-yl-2-(6-naphthalen-2-ylnaphthalen-2-yl)indeno[1,2-b]fluorene
CID 157388493
11,11-dimethyl-9-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]benzo[a]fluorene
CID 163596374
9-[3-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-5-phenylphenyl]phenanthrene
CID 58569124
9-[7-[9,9-dimethyl-7-(7-phenanthren-9-ylnaphthalen-2-yl)fluoren-2-yl]naphthalen-2-yl]phenanthrene
CID 58569088
9,10-bis(9,9-dimethylfluoren-2-yl)anthracene;9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-ylanthracene;9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-ylanthracene;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-ylanthracene;11,11-dimethyl-9-(10-phenylanthracen-9-yl)benzo[a]fluorene
CID 160962902
2,10-bis(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-ylanthracene;2-(9,9-dimethylfluoren-2-yl)-9-naphthalen-2-yl-10-(4-phenylphenyl)anthracene;10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-2-(4-phenylphenyl)anthracene;9-naphthalen-2-yl-2-phenanthren-9-yl-10-(4-phenylphenyl)anthracene
CID 162005752

Frequently Asked Questions

What is the IUPAC name of 11,11,12,12-tetramethyl-2-[3-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]indeno[2,1-a]fluorene?
The IUPAC name of 11,11,12,12-tetramethyl-2-[3-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]indeno[2,1-a]fluorene (CID 140710807) is 11,11,12,12-tetramethyl-2-[3-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]indeno[2,1-a]fluorene.
What is the SMILES notation for 11,11,12,12-tetramethyl-2-[3-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]indeno[2,1-a]fluorene?
The canonical SMILES for 11,11,12,12-tetramethyl-2-[3-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]indeno[2,1-a]fluorene is CC1(C)c2ccccc2-c2ccc3c(c21)C(C)(C)c1cc(-c2cc(-c4ccc5ccc(-c6ccccc6)cc5c4)cc4ccccc24)ccc1-3.
What is the InChIKey of 11,11,12,12-tetramethyl-2-[3-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]indeno[2,1-a]fluorene?
The InChIKey is BZPYSJGWLVVIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H38/c1-49(2)45-17-11-10-16-40(45)42-24-25-43-41-23-22-36(30-46(41)50(3,4)48(43)47(42)49)44-29-38(28-35-14-8-9-15-39(35)44)34-21-19-32-18-20-33(26-37(32)27-34)31-12-6-5-7-13-31/h5-30H,1-4H3.
What are the key properties of 11,11,12,12-tetramethyl-2-[3-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]indeno[2,1-a]fluorene?
11,11,12,12-tetramethyl-2-[3-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]indeno[2,1-a]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 11,11,12,12-tetramethyl-2-[3-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]indeno[2,1-a]fluorene is sourced from PubChem (CID 140710807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).