4-[7-methyl-6-[[4-[2-(7-methylnaphthalen-2-yl)-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]naphthalen-2-yl]-9,9-diphenylfluorene

C74H54 — CID 123544181

IUPAC4-[7-methyl-6-[[4-[2-(7-methylnaphthalen-2-yl)-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]naphthalen-2-yl]-9,9-diphenylfluorene
SMILESCc1ccc(C2(c3ccc(Cc4cc5ccc(-c6cccc7c6-c6ccccc6C7(c6ccccc6)c6ccccc6)cc5cc4C)cc3)c3ccccc3-c3ccc(-c4ccc5ccc(C)cc5c4)cc32)cc1
InChIInChI=1S/C74H54/c1-48-26-36-62(37-27-48)74(68-22-12-10-19-65(68)66-40-35-55(47-71(66)74)53-32-31-52-30-25-49(2)41-58(52)45-53)63-38-28-51(29-39-63)43-57-44-54-33-34-56(46-59(54)42-50(57)3)64-21-14-24-70-72(64)67-20-11-13-23-69(67)73(70,60-15-6-4-7-16-60)61-17-8-5-9-18-61/h4-42,44-47H,43H2,1-3H3
InChIKeyJMTWZNNERVCTST-UHFFFAOYSA-N
MW943.25 g/mol
LogP18.57
Rot. Bonds8

About 4-[7-methyl-6-[[4-[2-(7-methylnaphthalen-2-yl)-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]naphthalen-2-yl]-9,9-diphenylfluorene

4-[7-methyl-6-[[4-[2-(7-methylnaphthalen-2-yl)-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]naphthalen-2-yl]-9,9-diphenylfluorene (PubChem CID 123544181) has the molecular formula C74H54 and a molecular weight of 943.25 g/mol. Its IUPAC name is 4-[7-methyl-6-[[4-[2-(7-methylnaphthalen-2-yl)-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]naphthalen-2-yl]-9,9-diphenylfluorene.

Molecular Properties

Compound Name4-[7-methyl-6-[[4-[2-(7-methylnaphthalen-2-yl)-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]naphthalen-2-yl]-9,9-diphenylfluorene
PubChem CID123544181
Molecular FormulaC74H54
Molecular Weight943.25 g/mol
Exact Mass942.42
IUPAC Name4-[7-methyl-6-[[4-[2-(7-methylnaphthalen-2-yl)-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]naphthalen-2-yl]-9,9-diphenylfluorene
SMILESCc1ccc(C2(c3ccc(Cc4cc5ccc(-c6cccc7c6-c6ccccc6C7(c6ccccc6)c6ccccc6)cc5cc4C)cc3)c3ccccc3-c3ccc(-c4ccc5ccc(C)cc5c4)cc32)cc1
InChIInChI=1S/C74H54/c1-48-26-36-62(37-27-48)74(68-22-12-10-19-65(68)66-40-35-55(47-71(66)74)53-32-31-52-30-25-49(2)41-58(52)45-53)63-38-28-51(29-39-63)43-57-44-54-33-34-56(46-59(54)42-50(57)3)64-21-14-24-70-72(64)67-20-11-13-23-69(67)73(70,60-15-6-4-7-16-60)61-17-8-5-9-18-61/h4-42,44-47H,43H2,1-3H3
InChIKeyJMTWZNNERVCTST-UHFFFAOYSA-N
XLogP18.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500943.25
LogP ≤ 518.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4-[7-methyl-6-[[4-[2-(7-methylnaphthalen-2-yl)-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]naphthalen-2-yl]-9,9-diphenylfluorene with MolForge

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Related Compounds

5-[4-[4-(6-methylnaphthalen-2-yl)-9-(4-methylphenyl)fluoren-9-yl]phenyl]-9,9-bis(4-methylphenyl)-2-naphthalen-2-ylfluorene
CID 123832328
ethane;4-(7-methylnaphthalen-2-yl)-9,9-diphenylfluorene
CID 144938996
9-[4-(4-methylphenyl)phenyl]-2,7-dinaphthalen-2-yl-9-phenylfluorene
CID 58894843
4-(3-methylphenyl)-9,9-diphenylfluorene;9-(2-methylphenyl)-9-phenylfluorene;9-(3-methylphenyl)-9-phenylfluorene;9-(4-methylphenyl)-9-phenylfluorene;2-methyl-9-phenyl-9-(4-phenylphenyl)fluorene
CID 159810853
9,9-bis(4-methylphenyl)fluorene;1,7-dimethylnaphthalene;2,3-dimethylnaphthalene;2,7-dimethylnaphthalene
CID 160966642
4'-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 177266011
2-methyl-9,9-diphenylfluorene;1-(2-methylphenyl)naphthalene;1-(3-methylphenyl)naphthalene;2-(2-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;2-(4-methylphenyl)naphthalene
CID 158548033
9-(4-chlorophenyl)-4-naphthalen-2-yl-9-phenylfluorene
CID 176760045
2-[3-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluorene
CID 154591120
9-[3-[(9,9-diphenylfluoren-4-yl)methyl]-4-methylphenyl]-1-methyl-3-[[4-[2-methyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]-9-(4-methylphenyl)fluorene
CID 123272924
9,9-dimethyl-2-(4-methylphenyl)fluorene;2-methyl-9,9-diphenylfluorene;1-[4-(4-methylphenyl)phenyl]naphthalene;2-[4-(4-methylphenyl)phenyl]naphthalene
CID 157431212
5-methyl-2-naphthalen-1-yl-9,9-diphenylfluorene
CID 156896564

Frequently Asked Questions

What is the IUPAC name of 4-[7-methyl-6-[[4-[2-(7-methylnaphthalen-2-yl)-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]naphthalen-2-yl]-9,9-diphenylfluorene?
The IUPAC name of 4-[7-methyl-6-[[4-[2-(7-methylnaphthalen-2-yl)-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]naphthalen-2-yl]-9,9-diphenylfluorene (CID 123544181) is 4-[7-methyl-6-[[4-[2-(7-methylnaphthalen-2-yl)-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]naphthalen-2-yl]-9,9-diphenylfluorene.
What is the SMILES notation for 4-[7-methyl-6-[[4-[2-(7-methylnaphthalen-2-yl)-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]naphthalen-2-yl]-9,9-diphenylfluorene?
The canonical SMILES for 4-[7-methyl-6-[[4-[2-(7-methylnaphthalen-2-yl)-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]naphthalen-2-yl]-9,9-diphenylfluorene is Cc1ccc(C2(c3ccc(Cc4cc5ccc(-c6cccc7c6-c6ccccc6C7(c6ccccc6)c6ccccc6)cc5cc4C)cc3)c3ccccc3-c3ccc(-c4ccc5ccc(C)cc5c4)cc32)cc1.
What is the InChIKey of 4-[7-methyl-6-[[4-[2-(7-methylnaphthalen-2-yl)-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]naphthalen-2-yl]-9,9-diphenylfluorene?
The InChIKey is JMTWZNNERVCTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H54/c1-48-26-36-62(37-27-48)74(68-22-12-10-19-65(68)66-40-35-55(47-71(66)74)53-32-31-52-30-25-49(2)41-58(52)45-53)63-38-28-51(29-39-63)43-57-44-54-33-34-56(46-59(54)42-50(57)3)64-21-14-24-70-72(64)67-20-11-13-23-69(67)73(70,60-15-6-4-7-16-60)61-17-8-5-9-18-61/h4-42,44-47H,43H2,1-3H3.
What are the key properties of 4-[7-methyl-6-[[4-[2-(7-methylnaphthalen-2-yl)-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]naphthalen-2-yl]-9,9-diphenylfluorene?
4-[7-methyl-6-[[4-[2-(7-methylnaphthalen-2-yl)-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]naphthalen-2-yl]-9,9-diphenylfluorene has a molecular weight of 943.25 g/mol, XLogP of 18.57, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-methyl-6-[[4-[2-(7-methylnaphthalen-2-yl)-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]naphthalen-2-yl]-9,9-diphenylfluorene is sourced from PubChem (CID 123544181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).