2,7-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-4-naphthalen-2-ylfluorene

C55H44 — CID 123439239

IUPAC2,7-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-4-naphthalen-2-ylfluorene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc(-c5ccc6ccccc6c5)c3-4)cc21
InChIInChI=1S/C55H44/c1-53(2)46-17-11-9-15-40(46)42-24-21-35(29-48(42)53)36-23-26-44-50(30-36)55(5,6)51-32-39(28-45(52(44)51)38-20-19-33-13-7-8-14-34(33)27-38)37-22-25-43-41-16-10-12-18-47(41)54(3,4)49(43)31-37/h7-32H,1-6H3
InChIKeyNJMBPOFOEIGMEO-UHFFFAOYSA-N
MW704.96 g/mol
LogP14.76
Rot. Bonds3

About 2,7-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-4-naphthalen-2-ylfluorene

2,7-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-4-naphthalen-2-ylfluorene (PubChem CID 123439239) has the molecular formula C55H44 and a molecular weight of 704.96 g/mol. Its IUPAC name is 2,7-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-4-naphthalen-2-ylfluorene.

Molecular Properties

Compound Name2,7-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-4-naphthalen-2-ylfluorene
PubChem CID123439239
Molecular FormulaC55H44
Molecular Weight704.96 g/mol
Exact Mass704.34
IUPAC Name2,7-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-4-naphthalen-2-ylfluorene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc(-c5ccc6ccccc6c5)c3-4)cc21
InChIInChI=1S/C55H44/c1-53(2)46-17-11-9-15-40(46)42-24-21-35(29-48(42)53)36-23-26-44-50(30-36)55(5,6)51-32-39(28-45(52(44)51)38-20-19-33-13-7-8-14-34(33)27-38)37-22-25-43-41-16-10-12-18-47(41)54(3,4)49(43)31-37/h7-32H,1-6H3
InChIKeyNJMBPOFOEIGMEO-UHFFFAOYSA-N
XLogP14.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.96
LogP ≤ 514.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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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
9,9,14,14-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
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
9-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-15-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 58151602
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-naphthalen-2-ylanthracene
CID 20822253
10,10,12,12-tetramethyl-8-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]indeno[2,1-b]fluorene
CID 140710765
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-(9,9-dimethylfluoren-2-yl)-10-[10-[7-[9,9-dimethyl-7-(10-naphthalen-2-ylanthracen-9-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]anthracen-9-yl]anthracene
CID 20822351
2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 118427115
6,6,12,12-tetramethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]indeno[1,2-b]fluorene
CID 140710753

Frequently Asked Questions

What is the IUPAC name of 2,7-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-4-naphthalen-2-ylfluorene?
The IUPAC name of 2,7-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-4-naphthalen-2-ylfluorene (CID 123439239) is 2,7-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-4-naphthalen-2-ylfluorene.
What is the SMILES notation for 2,7-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-4-naphthalen-2-ylfluorene?
The canonical SMILES for 2,7-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-4-naphthalen-2-ylfluorene is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc(-c5ccc6ccccc6c5)c3-4)cc21.
What is the InChIKey of 2,7-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-4-naphthalen-2-ylfluorene?
The InChIKey is NJMBPOFOEIGMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H44/c1-53(2)46-17-11-9-15-40(46)42-24-21-35(29-48(42)53)36-23-26-44-50(30-36)55(5,6)51-32-39(28-45(52(44)51)38-20-19-33-13-7-8-14-34(33)27-38)37-22-25-43-41-16-10-12-18-47(41)54(3,4)49(43)31-37/h7-32H,1-6H3.
What are the key properties of 2,7-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-4-naphthalen-2-ylfluorene?
2,7-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-4-naphthalen-2-ylfluorene has a molecular weight of 704.96 g/mol, XLogP of 14.76, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-4-naphthalen-2-ylfluorene is sourced from PubChem (CID 123439239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).