7-phenyl-9-[3-(3-phenylphenyl)phenyl]-9-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]-1,2-dihydrofluorene

C67H48 — CID 145189166

IUPAC7-phenyl-9-[3-(3-phenylphenyl)phenyl]-9-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]-1,2-dihydrofluorene
SMILESC1=CC2=C(CC1)C(c1cccc(-c3cccc(-c4ccccc4)c3)c1)(c1cccc(-c3cc(-c4ccccc4)cc(-c4cccc(-c5ccccc5)c4)c3)c1)c1cc(-c3ccccc3)ccc12
InChIInChI=1S/C67H48/c1-5-19-47(20-6-1)51-27-15-29-53(39-51)55-31-17-33-61(44-55)67(65-36-14-13-35-63(65)64-38-37-57(46-66(64)67)49-23-9-3-10-24-49)62-34-18-32-56(45-62)60-42-58(50-25-11-4-12-26-50)41-59(43-60)54-30-16-28-52(40-54)48-21-7-2-8-22-48/h1-13,15-35,37-46H,14,36H2
InChIKeyZVLKXKOKRJRWOX-UHFFFAOYSA-N
MW853.12 g/mol
LogP17.81
Rot. Bonds9

About 7-phenyl-9-[3-(3-phenylphenyl)phenyl]-9-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]-1,2-dihydrofluorene

7-phenyl-9-[3-(3-phenylphenyl)phenyl]-9-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]-1,2-dihydrofluorene (PubChem CID 145189166) has the molecular formula C67H48 and a molecular weight of 853.12 g/mol. Its IUPAC name is 7-phenyl-9-[3-(3-phenylphenyl)phenyl]-9-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]-1,2-dihydrofluorene.

Molecular Properties

Compound Name7-phenyl-9-[3-(3-phenylphenyl)phenyl]-9-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]-1,2-dihydrofluorene
PubChem CID145189166
Molecular FormulaC67H48
Molecular Weight853.12 g/mol
Exact Mass852.38
IUPAC Name7-phenyl-9-[3-(3-phenylphenyl)phenyl]-9-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]-1,2-dihydrofluorene
SMILESC1=CC2=C(CC1)C(c1cccc(-c3cccc(-c4ccccc4)c3)c1)(c1cccc(-c3cc(-c4ccccc4)cc(-c4cccc(-c5ccccc5)c4)c3)c1)c1cc(-c3ccccc3)ccc12
InChIInChI=1S/C67H48/c1-5-19-47(20-6-1)51-27-15-29-53(39-51)55-31-17-33-61(44-55)67(65-36-14-13-35-63(65)64-38-37-57(46-66(64)67)49-23-9-3-10-24-49)62-34-18-32-56(45-62)60-42-58(50-25-11-4-12-26-50)41-59(43-60)54-30-16-28-52(40-54)48-21-7-2-8-22-48/h1-13,15-35,37-46H,14,36H2
InChIKeyZVLKXKOKRJRWOX-UHFFFAOYSA-N
XLogP17.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500853.12
LogP ≤ 517.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9-(9,9-diphenyl-7,8-dihydrofluoren-2-yl)-9-(4-methylphenyl)fluorene
CID 145328119
N,4-diphenyl-N-[4-[4-(9-phenyl-1,2-dihydrofluoren-9-yl)phenyl]phenyl]aniline
CID 70822820
N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-amine
CID 166861507
9-(9,9-diphenyl-7,8-dihydrofluoren-2-yl)-10-(9,9-diphenylfluoren-2-yl)-2,6-difluoroanthracene
CID 89208399
2,6-diphenyl-4-[3-(2-phenyl-4-spiro[1,2-dihydrofluorene-9,9'-thioxanthene]-2'-ylphenyl)phenyl]pyridine
CID 174328025
9-(9,9-diphenyl-7,8-dihydrofluoren-2-yl)-10-(9,9-diphenylfluoren-2-yl)-2-fluoroanthracene
CID 89208400
2-phenyl-3-(7'-pyridin-4-ylspiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-yl)quinoxaline
CID 163579355
5,18,21,21-tetraphenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),11,15(20),16,18-nonaene
CID 144772581
N-naphthalen-1-yl-9,9-diphenyl-7,8-dihydrofluoren-2-amine
CID 137427270
3-[9-(4-methylphenyl)-1,2-dihydrofluoren-9-yl]-N-phenylaniline
CID 163520915
9,9-diphenyl-2-[3-(3-phenylphenyl)phenyl]fluorene
CID 154591168
9-[4-[3-[4-[3,6-bis(9,9-diphenylfluoren-2-yl)carbazol-9-yl]phenyl]quinoxalin-2-yl]phenyl]-3-(9,9-diphenyl-7,8-dihydrofluoren-2-yl)-6-(9,9-diphenylfluoren-2-yl)carbazole
CID 88956505

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-9-[3-(3-phenylphenyl)phenyl]-9-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]-1,2-dihydrofluorene?
The IUPAC name of 7-phenyl-9-[3-(3-phenylphenyl)phenyl]-9-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]-1,2-dihydrofluorene (CID 145189166) is 7-phenyl-9-[3-(3-phenylphenyl)phenyl]-9-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]-1,2-dihydrofluorene.
What is the SMILES notation for 7-phenyl-9-[3-(3-phenylphenyl)phenyl]-9-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]-1,2-dihydrofluorene?
The canonical SMILES for 7-phenyl-9-[3-(3-phenylphenyl)phenyl]-9-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]-1,2-dihydrofluorene is C1=CC2=C(CC1)C(c1cccc(-c3cccc(-c4ccccc4)c3)c1)(c1cccc(-c3cc(-c4ccccc4)cc(-c4cccc(-c5ccccc5)c4)c3)c1)c1cc(-c3ccccc3)ccc12.
What is the InChIKey of 7-phenyl-9-[3-(3-phenylphenyl)phenyl]-9-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]-1,2-dihydrofluorene?
The InChIKey is ZVLKXKOKRJRWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H48/c1-5-19-47(20-6-1)51-27-15-29-53(39-51)55-31-17-33-61(44-55)67(65-36-14-13-35-63(65)64-38-37-57(46-66(64)67)49-23-9-3-10-24-49)62-34-18-32-56(45-62)60-42-58(50-25-11-4-12-26-50)41-59(43-60)54-30-16-28-52(40-54)48-21-7-2-8-22-48/h1-13,15-35,37-46H,14,36H2.
What are the key properties of 7-phenyl-9-[3-(3-phenylphenyl)phenyl]-9-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]-1,2-dihydrofluorene?
7-phenyl-9-[3-(3-phenylphenyl)phenyl]-9-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]-1,2-dihydrofluorene has a molecular weight of 853.12 g/mol, XLogP of 17.81, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-9-[3-(3-phenylphenyl)phenyl]-9-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]-1,2-dihydrofluorene is sourced from PubChem (CID 145189166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).