9,9-dimethyl-2-(3-naphthalen-1-ylphenyl)-7-[4-[4-[4-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]fluorene

C65H46 — CID 58881002

IUPAC9,9-dimethyl-2-(3-naphthalen-1-ylphenyl)-7-[4-[4-[4-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]fluorene
SMILESCC1(C)c2cc(-c3ccc(-c4ccc(-c5ccc(-c6cccc(-c7cccc8ccccc78)c6)cc5)cc4)cc3)ccc2-c2ccc(-c3cccc(-c4cccc5ccccc45)c3)cc21
InChIInChI=1S/C65H46/c1-65(2)63-41-53(35-37-61(63)62-38-36-54(42-64(62)65)52-16-8-18-56(40-52)60-22-10-14-50-12-4-6-20-58(50)60)48-33-29-46(30-34-48)44-25-23-43(24-26-44)45-27-31-47(32-28-45)51-15-7-17-55(39-51)59-21-9-13-49-11-3-5-19-57(49)59/h3-42H,1-2H3
InChIKeyHHWLKSYZKPWHSB-UHFFFAOYSA-N
MW827.08 g/mol
LogP17.97
Rot. Bonds7

About 9,9-dimethyl-2-(3-naphthalen-1-ylphenyl)-7-[4-[4-[4-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]fluorene

9,9-dimethyl-2-(3-naphthalen-1-ylphenyl)-7-[4-[4-[4-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]fluorene (PubChem CID 58881002) has the molecular formula C65H46 and a molecular weight of 827.08 g/mol. Its IUPAC name is 9,9-dimethyl-2-(3-naphthalen-1-ylphenyl)-7-[4-[4-[4-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]fluorene.

Molecular Properties

Compound Name9,9-dimethyl-2-(3-naphthalen-1-ylphenyl)-7-[4-[4-[4-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]fluorene
PubChem CID58881002
Molecular FormulaC65H46
Molecular Weight827.08 g/mol
Exact Mass826.36
IUPAC Name9,9-dimethyl-2-(3-naphthalen-1-ylphenyl)-7-[4-[4-[4-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]fluorene
SMILESCC1(C)c2cc(-c3ccc(-c4ccc(-c5ccc(-c6cccc(-c7cccc8ccccc78)c6)cc5)cc4)cc3)ccc2-c2ccc(-c3cccc(-c4cccc5ccccc45)c3)cc21
InChIInChI=1S/C65H46/c1-65(2)63-41-53(35-37-61(63)62-38-36-54(42-64(62)65)52-16-8-18-56(40-52)60-22-10-14-50-12-4-6-20-58(50)60)48-33-29-46(30-34-48)44-25-23-43(24-26-44)45-27-31-47(32-28-45)51-15-7-17-55(39-51)59-21-9-13-49-11-3-5-19-57(49)59/h3-42H,1-2H3
InChIKeyHHWLKSYZKPWHSB-UHFFFAOYSA-N
XLogP17.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500827.08
LogP ≤ 517.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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
9,9-dimethyl-2-naphthalen-2-yl-7-(3-naphthalen-1-ylphenyl)fluorene
CID 59217063
9-[3-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]phenanthrene
CID 58569211
9-[3-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-5-phenylphenyl]phenanthrene
CID 58569124
3-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]fluoranthene
CID 58569433
2-[9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-2-ylphenyl)phenyl]fluorene
CID 123907813
5-[3-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]benzo[c]phenanthrene
CID 58569078
3-[4-[7-[9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]fluoranthene
CID 123377158
2-[9,9-dimethyl-7-(3-naphthalen-1-ylphenyl)fluoren-2-yl]-7-[9,9-dimethyl-7-[3-(2,4,6-trimethylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene
CID 58881037
9,9-dimethyl-7-naphthalen-1-ylfluoren-2-amine
CID 121321735
2-(9,9-dimethylfluoren-2-yl)-7-[7-[9,9-dimethyl-7-(2-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 58881021

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-2-(3-naphthalen-1-ylphenyl)-7-[4-[4-[4-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]fluorene?
The IUPAC name of 9,9-dimethyl-2-(3-naphthalen-1-ylphenyl)-7-[4-[4-[4-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]fluorene (CID 58881002) is 9,9-dimethyl-2-(3-naphthalen-1-ylphenyl)-7-[4-[4-[4-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]fluorene.
What is the SMILES notation for 9,9-dimethyl-2-(3-naphthalen-1-ylphenyl)-7-[4-[4-[4-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]fluorene?
The canonical SMILES for 9,9-dimethyl-2-(3-naphthalen-1-ylphenyl)-7-[4-[4-[4-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]fluorene is CC1(C)c2cc(-c3ccc(-c4ccc(-c5ccc(-c6cccc(-c7cccc8ccccc78)c6)cc5)cc4)cc3)ccc2-c2ccc(-c3cccc(-c4cccc5ccccc45)c3)cc21.
What is the InChIKey of 9,9-dimethyl-2-(3-naphthalen-1-ylphenyl)-7-[4-[4-[4-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]fluorene?
The InChIKey is HHWLKSYZKPWHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H46/c1-65(2)63-41-53(35-37-61(63)62-38-36-54(42-64(62)65)52-16-8-18-56(40-52)60-22-10-14-50-12-4-6-20-58(50)60)48-33-29-46(30-34-48)44-25-23-43(24-26-44)45-27-31-47(32-28-45)51-15-7-17-55(39-51)59-21-9-13-49-11-3-5-19-57(49)59/h3-42H,1-2H3.
What are the key properties of 9,9-dimethyl-2-(3-naphthalen-1-ylphenyl)-7-[4-[4-[4-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]fluorene?
9,9-dimethyl-2-(3-naphthalen-1-ylphenyl)-7-[4-[4-[4-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]fluorene has a molecular weight of 827.08 g/mol, XLogP of 17.97, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-2-(3-naphthalen-1-ylphenyl)-7-[4-[4-[4-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]fluorene is sourced from PubChem (CID 58881002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).