5-[4-[4-(6-methylnaphthalen-2-yl)-9-(4-methylphenyl)fluoren-9-yl]phenyl]-9,9-bis(4-methylphenyl)-2-naphthalen-2-ylfluorene

C74H54 — CID 123832328

IUPAC5-[4-[4-(6-methylnaphthalen-2-yl)-9-(4-methylphenyl)fluoren-9-yl]phenyl]-9,9-bis(4-methylphenyl)-2-naphthalen-2-ylfluorene
SMILESCc1ccc(C2(c3ccc(-c4cccc5c4-c4ccc(-c6ccc7ccccc7c6)cc4C5(c4ccc(C)cc4)c4ccc(C)cc4)cc3)c3ccccc3-c3c(-c4ccc5cc(C)ccc5c4)cccc32)cc1
InChIInChI=1S/C74H54/c1-47-20-34-59(35-21-47)73(67-16-8-7-13-65(67)72-64(15-10-17-68(72)73)58-30-29-54-43-50(4)19-26-55(54)45-58)62-40-31-52(32-41-62)63-14-9-18-69-71(63)66-42-33-57(56-28-27-51-11-5-6-12-53(51)44-56)46-70(66)74(69,60-36-22-48(2)23-37-60)61-38-24-49(3)25-39-61/h5-46H,1-4H3
InChIKeyFBAKSRATDJJSBK-UHFFFAOYSA-N
MW943.25 g/mol
LogP18.95
Rot. Bonds7

About 5-[4-[4-(6-methylnaphthalen-2-yl)-9-(4-methylphenyl)fluoren-9-yl]phenyl]-9,9-bis(4-methylphenyl)-2-naphthalen-2-ylfluorene

5-[4-[4-(6-methylnaphthalen-2-yl)-9-(4-methylphenyl)fluoren-9-yl]phenyl]-9,9-bis(4-methylphenyl)-2-naphthalen-2-ylfluorene (PubChem CID 123832328) has the molecular formula C74H54 and a molecular weight of 943.25 g/mol. Its IUPAC name is 5-[4-[4-(6-methylnaphthalen-2-yl)-9-(4-methylphenyl)fluoren-9-yl]phenyl]-9,9-bis(4-methylphenyl)-2-naphthalen-2-ylfluorene.

Molecular Properties

Compound Name5-[4-[4-(6-methylnaphthalen-2-yl)-9-(4-methylphenyl)fluoren-9-yl]phenyl]-9,9-bis(4-methylphenyl)-2-naphthalen-2-ylfluorene
PubChem CID123832328
Molecular FormulaC74H54
Molecular Weight943.25 g/mol
Exact Mass942.42
IUPAC Name5-[4-[4-(6-methylnaphthalen-2-yl)-9-(4-methylphenyl)fluoren-9-yl]phenyl]-9,9-bis(4-methylphenyl)-2-naphthalen-2-ylfluorene
SMILESCc1ccc(C2(c3ccc(-c4cccc5c4-c4ccc(-c6ccc7ccccc7c6)cc4C5(c4ccc(C)cc4)c4ccc(C)cc4)cc3)c3ccccc3-c3c(-c4ccc5cc(C)ccc5c4)cccc32)cc1
InChIInChI=1S/C74H54/c1-47-20-34-59(35-21-47)73(67-16-8-7-13-65(67)72-64(15-10-17-68(72)73)58-30-29-54-43-50(4)19-26-55(54)45-58)62-40-31-52(32-41-62)63-14-9-18-69-71(63)66-42-33-57(56-28-27-51-11-5-6-12-53(51)44-56)46-70(66)74(69,60-36-22-48(2)23-37-60)61-38-24-49(3)25-39-61/h5-46H,1-4H3
InChIKeyFBAKSRATDJJSBK-UHFFFAOYSA-N
XLogP18.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500943.25
LogP ≤ 518.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5-[4-[4-(6-methylnaphthalen-2-yl)-9-(4-methylphenyl)fluoren-9-yl]phenyl]-9,9-bis(4-methylphenyl)-2-naphthalen-2-ylfluorene with MolForge

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Related Compounds

ethane;4-(7-methylnaphthalen-2-yl)-9,9-diphenylfluorene
CID 144938996
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
9-(4-chlorophenyl)-4-naphthalen-2-yl-9-phenylfluorene
CID 176760045
9-[4-(4-methylphenyl)phenyl]-2,7-dinaphthalen-2-yl-9-phenylfluorene
CID 58894843
2,9,9-trinaphthalen-2-ylfluorene
CID 144772576
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline
CID 169019866
2-[3-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluorene
CID 154591120
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
4'-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 177266011
9-methyl-5-(4-naphthalen-2-ylphenyl)-7,7-diphenylbenzo[c]fluorene
CID 59755354
1-[9,10-bis[9,9-bis(4-methylphenyl)fluoren-2-yl]anthracen-2-yl]pyrene
CID 59859297
2-(7-iodonaphthalen-1-yl)-9,9-bis(4-methylphenyl)fluorene
CID 126546625

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(6-methylnaphthalen-2-yl)-9-(4-methylphenyl)fluoren-9-yl]phenyl]-9,9-bis(4-methylphenyl)-2-naphthalen-2-ylfluorene?
The IUPAC name of 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) is 5-[4-[4-(6-methylnaphthalen-2-yl)-9-(4-methylphenyl)fluoren-9-yl]phenyl]-9,9-bis(4-methylphenyl)-2-naphthalen-2-ylfluorene.
What is the SMILES notation for 5-[4-[4-(6-methylnaphthalen-2-yl)-9-(4-methylphenyl)fluoren-9-yl]phenyl]-9,9-bis(4-methylphenyl)-2-naphthalen-2-ylfluorene?
The canonical SMILES for 5-[4-[4-(6-methylnaphthalen-2-yl)-9-(4-methylphenyl)fluoren-9-yl]phenyl]-9,9-bis(4-methylphenyl)-2-naphthalen-2-ylfluorene is Cc1ccc(C2(c3ccc(-c4cccc5c4-c4ccc(-c6ccc7ccccc7c6)cc4C5(c4ccc(C)cc4)c4ccc(C)cc4)cc3)c3ccccc3-c3c(-c4ccc5cc(C)ccc5c4)cccc32)cc1.
What is the InChIKey of 5-[4-[4-(6-methylnaphthalen-2-yl)-9-(4-methylphenyl)fluoren-9-yl]phenyl]-9,9-bis(4-methylphenyl)-2-naphthalen-2-ylfluorene?
The InChIKey is FBAKSRATDJJSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H54/c1-47-20-34-59(35-21-47)73(67-16-8-7-13-65(67)72-64(15-10-17-68(72)73)58-30-29-54-43-50(4)19-26-55(54)45-58)62-40-31-52(32-41-62)63-14-9-18-69-71(63)66-42-33-57(56-28-27-51-11-5-6-12-53(51)44-56)46-70(66)74(69,60-36-22-48(2)23-37-60)61-38-24-49(3)25-39-61/h5-46H,1-4H3.
What are the key properties of 5-[4-[4-(6-methylnaphthalen-2-yl)-9-(4-methylphenyl)fluoren-9-yl]phenyl]-9,9-bis(4-methylphenyl)-2-naphthalen-2-ylfluorene?
5-[4-[4-(6-methylnaphthalen-2-yl)-9-(4-methylphenyl)fluoren-9-yl]phenyl]-9,9-bis(4-methylphenyl)-2-naphthalen-2-ylfluorene has a molecular weight of 943.25 g/mol, XLogP of 18.95, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(6-methylnaphthalen-2-yl)-9-(4-methylphenyl)fluoren-9-yl]phenyl]-9,9-bis(4-methylphenyl)-2-naphthalen-2-ylfluorene is sourced from PubChem (CID 123832328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).