2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-[7-(2,3-diphenylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene

C75H58 — CID 58881223

IUPAC2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-[7-(2,3-diphenylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
SMILESCC1(C)c2cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccccc5-c5ccccc5)ccc3-4)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cccc(-c6ccccc6)c5-c5ccccc5)ccc3-4)cc21
InChIInChI=1S/C75H58/c1-73(2)66-41-50(52-31-37-62-64-39-33-54(45-70(64)74(3,4)68(62)43-52)57-26-17-16-25-56(57)47-19-10-7-11-20-47)29-35-60(66)61-36-30-51(42-67(61)73)53-32-38-63-65-40-34-55(46-71(65)75(5,6)69(63)44-53)59-28-18-27-58(48-21-12-8-13-22-48)72(59)49-23-14-9-15-24-49/h7-46H,1-6H3
InChIKeySEVDQMMDEJSCTM-UHFFFAOYSA-N
MW959.29 g/mol
LogP20.27
Rot. Bonds7

About 2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-[7-(2,3-diphenylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene

2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-[7-(2,3-diphenylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene (PubChem CID 58881223) has the molecular formula C75H58 and a molecular weight of 959.29 g/mol. Its IUPAC name is 2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-[7-(2,3-diphenylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene.

Molecular Properties

Compound Name2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-[7-(2,3-diphenylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
PubChem CID58881223
Molecular FormulaC75H58
Molecular Weight959.29 g/mol
Exact Mass958.45
IUPAC Name2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-[7-(2,3-diphenylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
SMILESCC1(C)c2cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccccc5-c5ccccc5)ccc3-4)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cccc(-c6ccccc6)c5-c5ccccc5)ccc3-4)cc21
InChIInChI=1S/C75H58/c1-73(2)66-41-50(52-31-37-62-64-39-33-54(45-70(64)74(3,4)68(62)43-52)57-26-17-16-25-56(57)47-19-10-7-11-20-47)29-35-60(66)61-36-30-51(42-67(61)73)53-32-38-63-65-40-34-55(46-71(65)75(5,6)69(63)44-53)59-28-18-27-58(48-21-12-8-13-22-48)72(59)49-23-14-9-15-24-49/h7-46H,1-6H3
InChIKeySEVDQMMDEJSCTM-UHFFFAOYSA-N
XLogP20.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500959.29
LogP ≤ 520.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-[7-(2,6-diphenylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 58881185
2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-[9,9-dimethyl-7-(3-phenylphenyl)fluoren-2-yl]-9,9-dimethylfluorene
CID 58881198
2-[4-[4-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethyl-7-(2-phenylphenyl)fluorene
CID 58880971
2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-(2,5-diphenylphenyl)-9,9-dimethylfluorene
CID 58881189
7-(9,9-dimethylfluoren-2-yl)-10-phenylfluoranthene
CID 170668000
N,N-bis[4-(2,6-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168771647
N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-3-phenyl-N,2-bis(2-phenylphenyl)aniline
CID 168788977
2-(3,5-diphenylphenyl)-7-[4-[7-(3,5-diphenylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluorene
CID 58880913
9,9,10,10-tetramethyl-2,6-bis(2-phenylphenyl)anthracene
CID 59649045
2,7-bis(3,5-diphenylphenyl)-9,9-dimethylfluorene
CID 59217114
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-12,12-dimethyl-15-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 58151610
9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-phenylanthracene
CID 20822329

Frequently Asked Questions

What is the IUPAC name of 2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-[7-(2,3-diphenylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene?
The IUPAC name of 2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-[7-(2,3-diphenylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene (CID 58881223) is 2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-[7-(2,3-diphenylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene.
What is the SMILES notation for 2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-[7-(2,3-diphenylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene?
The canonical SMILES for 2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-[7-(2,3-diphenylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene is CC1(C)c2cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccccc5-c5ccccc5)ccc3-4)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cccc(-c6ccccc6)c5-c5ccccc5)ccc3-4)cc21.
What is the InChIKey of 2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-[7-(2,3-diphenylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene?
The InChIKey is SEVDQMMDEJSCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H58/c1-73(2)66-41-50(52-31-37-62-64-39-33-54(45-70(64)74(3,4)68(62)43-52)57-26-17-16-25-56(57)47-19-10-7-11-20-47)29-35-60(66)61-36-30-51(42-67(61)73)53-32-38-63-65-40-34-55(46-71(65)75(5,6)69(63)44-53)59-28-18-27-58(48-21-12-8-13-22-48)72(59)49-23-14-9-15-24-49/h7-46H,1-6H3.
What are the key properties of 2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-[7-(2,3-diphenylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene?
2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-[7-(2,3-diphenylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene has a molecular weight of 959.29 g/mol, XLogP of 20.27, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-[7-(2,3-diphenylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene is sourced from PubChem (CID 58881223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).