5,7,7-trimethyl-3-[[4-[3-[[4-[3-methyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]benzo[c]fluorene

C75H60 — CID 123592313

IUPAC5,7,7-trimethyl-3-[[4-[3-[[4-[3-methyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]benzo[c]fluorene
SMILESCc1ccc(C2(c3ccc(Cc4ccc5c(c4)-c4ccccc4C5(c4ccc(C)cc4)c4ccc(Cc5ccc6c7c(cc(C)c6c5)C(C)(C)c5ccccc5-7)cc4)cc3)c3ccccc3-c3cc(C)ccc32)cc1
InChIInChI=1S/C75H60/c1-47-19-30-55(31-20-47)74(67-17-11-7-13-59(67)64-41-49(3)23-39-69(64)74)57-34-26-52(27-35-57)44-54-29-40-70-65(46-54)60-14-8-12-18-68(60)75(70,56-32-21-48(2)22-33-56)58-36-24-51(25-37-58)43-53-28-38-61-63(45-53)50(4)42-71-72(61)62-15-9-10-16-66(62)73(71,5)6/h7-42,45-46H,43-44H2,1-6H3
InChIKeyLUWXHPRIIORLEG-UHFFFAOYSA-N
MW961.30 g/mol
LogP18.29
Rot. Bonds8

About 5,7,7-trimethyl-3-[[4-[3-[[4-[3-methyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]benzo[c]fluorene

5,7,7-trimethyl-3-[[4-[3-[[4-[3-methyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]benzo[c]fluorene (PubChem CID 123592313) has the molecular formula C75H60 and a molecular weight of 961.30 g/mol. Its IUPAC name is 5,7,7-trimethyl-3-[[4-[3-[[4-[3-methyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]benzo[c]fluorene.

Molecular Properties

Compound Name5,7,7-trimethyl-3-[[4-[3-[[4-[3-methyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]benzo[c]fluorene
PubChem CID123592313
Molecular FormulaC75H60
Molecular Weight961.30 g/mol
Exact Mass960.47
IUPAC Name5,7,7-trimethyl-3-[[4-[3-[[4-[3-methyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]benzo[c]fluorene
SMILESCc1ccc(C2(c3ccc(Cc4ccc5c(c4)-c4ccccc4C5(c4ccc(C)cc4)c4ccc(Cc5ccc6c7c(cc(C)c6c5)C(C)(C)c5ccccc5-7)cc4)cc3)c3ccccc3-c3cc(C)ccc32)cc1
InChIInChI=1S/C75H60/c1-47-19-30-55(31-20-47)74(67-17-11-7-13-59(67)64-41-49(3)23-39-69(64)74)57-34-26-52(27-35-57)44-54-29-40-70-65(46-54)60-14-8-12-18-68(60)75(70,56-32-21-48(2)22-33-56)58-36-24-51(25-37-58)43-53-28-38-61-63(45-53)50(4)42-71-72(61)62-15-9-10-16-66(62)73(71,5)6/h7-42,45-46H,43-44H2,1-6H3
InChIKeyLUWXHPRIIORLEG-UHFFFAOYSA-N
XLogP18.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500961.30
LogP ≤ 518.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5,7,7-trimethyl-3-[[4-[3-[[4-[3-methyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]benzo[c]fluorene with MolForge

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Related Compounds

2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;4-methyl-9,9-diphenylfluorene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene
CID 159829393
9-buta-1,3-dien-2-yl-9-but-2-en-2-yl-3-[[4-[4-methyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]fluorene
CID 123293500
6,6,12,12-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene
CID 101421308
5,7,7,9-tetramethylbenzo[c]fluorene
CID 59595492
4-methyl-N-(4-methylphenyl)-N-[4-[9,19,22,22-tetramethyl-12-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-12-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaenyl]phenyl]aniline
CID 90244035
12,20-bis(4-butylphenyl)-8,16,16,24-tetramethyl-5,5,27,27-tetrakis(4-methylphenyl)-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene;5,7,7,9-tetramethylbenzo[c]fluorene;2,7,9,9-tetramethylfluorene
CID 160887945
2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;bis(4-methyl-9,9-diphenylfluorene);1,9,9-trimethylfluorene
CID 159806985
9,9-bis(4-methylphenyl)fluorene;propane
CID 144938703
9,9-dimethyl-2-(4-methylphenyl)fluorene;2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;1,9,9-trimethylfluorene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene
CID 162061427
2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;bis(4-methyl-9,9-diphenylfluorene)
CID 160627919
tetrakis(9,9-dimethylfluorene);tetrakis(9,9-diphenylfluorene);ethane;toluene
CID 157389689
9,9-bis(4-methylphenyl)fluorene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1,3-xylene;1,4-xylene
CID 159722596

Frequently Asked Questions

What is the IUPAC name of 5,7,7-trimethyl-3-[[4-[3-[[4-[3-methyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]benzo[c]fluorene?
The IUPAC name of 5,7,7-trimethyl-3-[[4-[3-[[4-[3-methyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]benzo[c]fluorene (CID 123592313) is 5,7,7-trimethyl-3-[[4-[3-[[4-[3-methyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]benzo[c]fluorene.
What is the SMILES notation for 5,7,7-trimethyl-3-[[4-[3-[[4-[3-methyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]benzo[c]fluorene?
The canonical SMILES for 5,7,7-trimethyl-3-[[4-[3-[[4-[3-methyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]benzo[c]fluorene is Cc1ccc(C2(c3ccc(Cc4ccc5c(c4)-c4ccccc4C5(c4ccc(C)cc4)c4ccc(Cc5ccc6c7c(cc(C)c6c5)C(C)(C)c5ccccc5-7)cc4)cc3)c3ccccc3-c3cc(C)ccc32)cc1.
What is the InChIKey of 5,7,7-trimethyl-3-[[4-[3-[[4-[3-methyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]benzo[c]fluorene?
The InChIKey is LUWXHPRIIORLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H60/c1-47-19-30-55(31-20-47)74(67-17-11-7-13-59(67)64-41-49(3)23-39-69(64)74)57-34-26-52(27-35-57)44-54-29-40-70-65(46-54)60-14-8-12-18-68(60)75(70,56-32-21-48(2)22-33-56)58-36-24-51(25-37-58)43-53-28-38-61-63(45-53)50(4)42-71-72(61)62-15-9-10-16-66(62)73(71,5)6/h7-42,45-46H,43-44H2,1-6H3.
What are the key properties of 5,7,7-trimethyl-3-[[4-[3-[[4-[3-methyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]benzo[c]fluorene?
5,7,7-trimethyl-3-[[4-[3-[[4-[3-methyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]benzo[c]fluorene has a molecular weight of 961.30 g/mol, XLogP of 18.29, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7,7-trimethyl-3-[[4-[3-[[4-[3-methyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]benzo[c]fluorene is sourced from PubChem (CID 123592313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).