2-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]-9,9-dimethylfluorene

C50H38 — CID 58351434

IUPAC2-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]-9,9-dimethylfluorene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4cc(-c5ccc6cc(-c7ccc8c(c7)C(C)(C)c7ccccc7-8)ccc6c5)ccc4c3)cc21
InChIInChI=1S/C50H38/c1-49(2)45-11-7-5-9-41(45)43-23-21-39(29-47(43)49)37-19-17-33-25-31(13-15-35(33)27-37)32-14-16-36-28-38(20-18-34(36)26-32)40-22-24-44-42-10-6-8-12-46(42)50(3,4)48(44)30-40/h5-30H,1-4H3
InChIKeyKTTDOTRTJFGXMK-UHFFFAOYSA-N
MW638.85 g/mol
LogP13.61
Rot. Bonds3

About 2-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]-9,9-dimethylfluorene

2-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]-9,9-dimethylfluorene (PubChem CID 58351434) has the molecular formula C50H38 and a molecular weight of 638.85 g/mol. Its IUPAC name is 2-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]-9,9-dimethylfluorene.

Molecular Properties

Compound Name2-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]-9,9-dimethylfluorene
PubChem CID58351434
Molecular FormulaC50H38
Molecular Weight638.85 g/mol
Exact Mass638.30
IUPAC Name2-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]-9,9-dimethylfluorene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4cc(-c5ccc6cc(-c7ccc8c(c7)C(C)(C)c7ccccc7-8)ccc6c5)ccc4c3)cc21
InChIInChI=1S/C50H38/c1-49(2)45-11-7-5-9-41(45)43-23-21-39(29-47(43)49)37-19-17-33-25-31(13-15-35(33)27-37)32-14-16-36-28-38(20-18-34(36)26-32)40-22-24-44-42-10-6-8-12-46(42)50(3,4)48(44)30-40/h5-30H,1-4H3
InChIKeyKTTDOTRTJFGXMK-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

2-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluorene
CID 59133445
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-[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)-7-[6-(6-methoxynaphthalen-2-yl)naphthalen-2-yl]-9,9-dimethylfluorene
CID 90394242
6,6,12,12-tetramethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]indeno[1,2-b]fluorene
CID 140710753
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
2-[3,5-bis[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 101336380
2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58881238
2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-6-(7-naphthalen-2-ylnaphthalen-2-yl)-1,3,5-triazine
CID 176588450
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-naphthalen-2-ylanthracene
CID 20822253
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 140710622

Frequently Asked Questions

What is the IUPAC name of 2-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]-9,9-dimethylfluorene?
The IUPAC name of 2-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]-9,9-dimethylfluorene (CID 58351434) is 2-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]-9,9-dimethylfluorene.
What is the SMILES notation for 2-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]-9,9-dimethylfluorene?
The canonical SMILES for 2-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]-9,9-dimethylfluorene is CC1(C)c2ccccc2-c2ccc(-c3ccc4cc(-c5ccc6cc(-c7ccc8c(c7)C(C)(C)c7ccccc7-8)ccc6c5)ccc4c3)cc21.
What is the InChIKey of 2-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]-9,9-dimethylfluorene?
The InChIKey is KTTDOTRTJFGXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H38/c1-49(2)45-11-7-5-9-41(45)43-23-21-39(29-47(43)49)37-19-17-33-25-31(13-15-35(33)27-37)32-14-16-36-28-38(20-18-34(36)26-32)40-22-24-44-42-10-6-8-12-46(42)50(3,4)48(44)30-40/h5-30H,1-4H3.
What are the key properties of 2-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]-9,9-dimethylfluorene?
2-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]-9,9-dimethylfluorene 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 2-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]-9,9-dimethylfluorene is sourced from PubChem (CID 58351434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).