2-(3,5-dinaphthalen-1-ylphenyl)-7-[7-(3,5-dinaphthalen-1-ylphenyl)-9,9-diethylfluoren-2-yl]-9,9-diethylfluorene

C86H66 — CID 58880878

IUPAC2-(3,5-dinaphthalen-1-ylphenyl)-7-[7-(3,5-dinaphthalen-1-ylphenyl)-9,9-diethylfluoren-2-yl]-9,9-diethylfluorene
SMILESCCC1(CC)c2cc(-c3cc(-c4cccc5ccccc45)cc(-c4cccc5ccccc45)c3)ccc2-c2ccc(-c3ccc4c(c3)C(CC)(CC)c3cc(-c5cc(-c6cccc7ccccc67)cc(-c6cccc7ccccc67)c5)ccc3-4)cc21
InChIInChI=1S/C86H66/c1-5-85(6-2)81-51-59(37-41-77(81)79-43-39-61(53-83(79)85)63-45-65(73-33-17-25-55-21-9-13-29-69(55)73)49-66(46-63)74-34-18-26-56-22-10-14-30-70(56)74)60-38-42-78-80-44-40-62(54-84(80)86(7-3,8-4)82(78)52-60)64-47-67(75-35-19-27-57-23-11-15-31-71(57)75)50-68(48-64)76-36-20-28-58-24-12-16-32-72(58)76/h9-54H,5-8H2,1-4H3
InChIKeyPCFLBEZPGCQRMO-UHFFFAOYSA-N
MW1099.47 g/mol
LogP24.14
Rot. Bonds11

About 2-(3,5-dinaphthalen-1-ylphenyl)-7-[7-(3,5-dinaphthalen-1-ylphenyl)-9,9-diethylfluoren-2-yl]-9,9-diethylfluorene

2-(3,5-dinaphthalen-1-ylphenyl)-7-[7-(3,5-dinaphthalen-1-ylphenyl)-9,9-diethylfluoren-2-yl]-9,9-diethylfluorene (PubChem CID 58880878) has the molecular formula C86H66 and a molecular weight of 1099.47 g/mol. Its IUPAC name is 2-(3,5-dinaphthalen-1-ylphenyl)-7-[7-(3,5-dinaphthalen-1-ylphenyl)-9,9-diethylfluoren-2-yl]-9,9-diethylfluorene.

Molecular Properties

Compound Name2-(3,5-dinaphthalen-1-ylphenyl)-7-[7-(3,5-dinaphthalen-1-ylphenyl)-9,9-diethylfluoren-2-yl]-9,9-diethylfluorene
PubChem CID58880878
Molecular FormulaC86H66
Molecular Weight1099.47 g/mol
Exact Mass1098.52
IUPAC Name2-(3,5-dinaphthalen-1-ylphenyl)-7-[7-(3,5-dinaphthalen-1-ylphenyl)-9,9-diethylfluoren-2-yl]-9,9-diethylfluorene
SMILESCCC1(CC)c2cc(-c3cc(-c4cccc5ccccc45)cc(-c4cccc5ccccc45)c3)ccc2-c2ccc(-c3ccc4c(c3)C(CC)(CC)c3cc(-c5cc(-c6cccc7ccccc67)cc(-c6cccc7ccccc67)c5)ccc3-4)cc21
InChIInChI=1S/C86H66/c1-5-85(6-2)81-51-59(37-41-77(81)79-43-39-61(53-83(79)85)63-45-65(73-33-17-25-55-21-9-13-29-69(55)73)49-66(46-63)74-34-18-26-56-22-10-14-30-70(56)74)60-38-42-78-80-44-40-62(54-84(80)86(7-3,8-4)82(78)52-60)64-47-67(75-35-19-27-57-23-11-15-31-71(57)75)50-68(48-64)76-36-20-28-58-24-12-16-32-72(58)76/h9-54H,5-8H2,1-4H3
InChIKeyPCFLBEZPGCQRMO-UHFFFAOYSA-N
XLogP24.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001099.47
LogP ≤ 524.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9,9-dimethyl-2-(3-naphthalen-1-ylphenyl)-7-[4-[4-[4-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]fluorene
CID 58881002
2,7-bis[9,9-dimethyl-7-[3-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene
CID 58881057
2-[9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluorene
CID 123969680
11-(9,9-diethylfluoren-2-yl)-3-naphthalen-1-ylpentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2,4,6,8,10,13,15,17,19-decaene
CID 123906483
9,9-dimethyl-2,7-bis[3-naphthalen-1-yl-5-[(E)-2-phenylethenyl]phenyl]fluorene
CID 59217086
9-[3-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-5-phenylphenyl]phenanthrene
CID 58569124
2-[3-[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 154591149
9,9-dimethyl-2-naphthalen-2-yl-7-(3-naphthalen-1-ylphenyl)fluorene
CID 59217063
2-(9,9-diethylfluoren-2-yl)-4,6-diphenylpyridine
CID 102582737
9-[9,9-diethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-10-phenylanthracene
CID 20822281
2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 58939612
2,7-bis[7-(9,9-diethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene;2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]-9,9-diethylfluorene;2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-diethylfluorene;2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 160707659

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dinaphthalen-1-ylphenyl)-7-[7-(3,5-dinaphthalen-1-ylphenyl)-9,9-diethylfluoren-2-yl]-9,9-diethylfluorene?
The IUPAC name of 2-(3,5-dinaphthalen-1-ylphenyl)-7-[7-(3,5-dinaphthalen-1-ylphenyl)-9,9-diethylfluoren-2-yl]-9,9-diethylfluorene (CID 58880878) is 2-(3,5-dinaphthalen-1-ylphenyl)-7-[7-(3,5-dinaphthalen-1-ylphenyl)-9,9-diethylfluoren-2-yl]-9,9-diethylfluorene.
What is the SMILES notation for 2-(3,5-dinaphthalen-1-ylphenyl)-7-[7-(3,5-dinaphthalen-1-ylphenyl)-9,9-diethylfluoren-2-yl]-9,9-diethylfluorene?
The canonical SMILES for 2-(3,5-dinaphthalen-1-ylphenyl)-7-[7-(3,5-dinaphthalen-1-ylphenyl)-9,9-diethylfluoren-2-yl]-9,9-diethylfluorene is CCC1(CC)c2cc(-c3cc(-c4cccc5ccccc45)cc(-c4cccc5ccccc45)c3)ccc2-c2ccc(-c3ccc4c(c3)C(CC)(CC)c3cc(-c5cc(-c6cccc7ccccc67)cc(-c6cccc7ccccc67)c5)ccc3-4)cc21.
What is the InChIKey of 2-(3,5-dinaphthalen-1-ylphenyl)-7-[7-(3,5-dinaphthalen-1-ylphenyl)-9,9-diethylfluoren-2-yl]-9,9-diethylfluorene?
The InChIKey is PCFLBEZPGCQRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H66/c1-5-85(6-2)81-51-59(37-41-77(81)79-43-39-61(53-83(79)85)63-45-65(73-33-17-25-55-21-9-13-29-69(55)73)49-66(46-63)74-34-18-26-56-22-10-14-30-70(56)74)60-38-42-78-80-44-40-62(54-84(80)86(7-3,8-4)82(78)52-60)64-47-67(75-35-19-27-57-23-11-15-31-71(57)75)50-68(48-64)76-36-20-28-58-24-12-16-32-72(58)76/h9-54H,5-8H2,1-4H3.
What are the key properties of 2-(3,5-dinaphthalen-1-ylphenyl)-7-[7-(3,5-dinaphthalen-1-ylphenyl)-9,9-diethylfluoren-2-yl]-9,9-diethylfluorene?
2-(3,5-dinaphthalen-1-ylphenyl)-7-[7-(3,5-dinaphthalen-1-ylphenyl)-9,9-diethylfluoren-2-yl]-9,9-diethylfluorene has a molecular weight of 1099.47 g/mol, XLogP of 24.14, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dinaphthalen-1-ylphenyl)-7-[7-(3,5-dinaphthalen-1-ylphenyl)-9,9-diethylfluoren-2-yl]-9,9-diethylfluorene is sourced from PubChem (CID 58880878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).