9,9-dimethyl-5-[9-methyl-4-[[9-methyl-3-(7-methylnaphthalen-2-yl)fluoren-9-yl]methyl]-2-(7-methylnaphthalen-2-yl)fluoren-9-yl]-1-(7-methylnaphthalen-2-yl)fluorene

C77H60 — CID 123751329

IUPAC9,9-dimethyl-5-[9-methyl-4-[[9-methyl-3-(7-methylnaphthalen-2-yl)fluoren-9-yl]methyl]-2-(7-methylnaphthalen-2-yl)fluoren-9-yl]-1-(7-methylnaphthalen-2-yl)fluorene
SMILESCc1ccc2ccc(-c3ccc4c(c3)-c3ccccc3C4(C)Cc3cc(-c4ccc5ccc(C)cc5c4)cc4c3-c3ccccc3C4(C)c3cccc4c3-c3cccc(-c5ccc6ccc(C)cc6c5)c3C4(C)C)cc2c1
InChIInChI=1S/C77H60/c1-46-22-25-49-28-31-52(39-56(49)36-46)54-34-35-67-65(43-54)62-14-8-10-18-66(62)76(67,6)45-60-42-59(53-32-29-50-26-23-47(2)37-57(50)40-53)44-71-72(60)63-15-9-11-19-68(63)77(71,7)70-21-13-20-69-73(70)64-17-12-16-61(74(64)75(69,4)5)55-33-30-51-27-24-48(3)38-58(51)41-55/h8-44H,45H2,1-7H3
InChIKeyAGLDFLUEKZWUFX-UHFFFAOYSA-N
MW985.33 g/mol
LogP20.24
Rot. Bonds6

About 9,9-dimethyl-5-[9-methyl-4-[[9-methyl-3-(7-methylnaphthalen-2-yl)fluoren-9-yl]methyl]-2-(7-methylnaphthalen-2-yl)fluoren-9-yl]-1-(7-methylnaphthalen-2-yl)fluorene

9,9-dimethyl-5-[9-methyl-4-[[9-methyl-3-(7-methylnaphthalen-2-yl)fluoren-9-yl]methyl]-2-(7-methylnaphthalen-2-yl)fluoren-9-yl]-1-(7-methylnaphthalen-2-yl)fluorene (PubChem CID 123751329) has the molecular formula C77H60 and a molecular weight of 985.33 g/mol. Its IUPAC name is 9,9-dimethyl-5-[9-methyl-4-[[9-methyl-3-(7-methylnaphthalen-2-yl)fluoren-9-yl]methyl]-2-(7-methylnaphthalen-2-yl)fluoren-9-yl]-1-(7-methylnaphthalen-2-yl)fluorene.

Molecular Properties

Compound Name9,9-dimethyl-5-[9-methyl-4-[[9-methyl-3-(7-methylnaphthalen-2-yl)fluoren-9-yl]methyl]-2-(7-methylnaphthalen-2-yl)fluoren-9-yl]-1-(7-methylnaphthalen-2-yl)fluorene
PubChem CID123751329
Molecular FormulaC77H60
Molecular Weight985.33 g/mol
Exact Mass984.47
IUPAC Name9,9-dimethyl-5-[9-methyl-4-[[9-methyl-3-(7-methylnaphthalen-2-yl)fluoren-9-yl]methyl]-2-(7-methylnaphthalen-2-yl)fluoren-9-yl]-1-(7-methylnaphthalen-2-yl)fluorene
SMILESCc1ccc2ccc(-c3ccc4c(c3)-c3ccccc3C4(C)Cc3cc(-c4ccc5ccc(C)cc5c4)cc4c3-c3ccccc3C4(C)c3cccc4c3-c3cccc(-c5ccc6ccc(C)cc6c5)c3C4(C)C)cc2c1
InChIInChI=1S/C77H60/c1-46-22-25-49-28-31-52(39-56(49)36-46)54-34-35-67-65(43-54)62-14-8-10-18-66(62)76(67,6)45-60-42-59(53-32-29-50-26-23-47(2)37-57(50)40-53)44-71-72(60)63-15-9-11-19-68(63)77(71,7)70-21-13-20-69-73(70)64-17-12-16-61(74(64)75(69,4)5)55-33-30-51-27-24-48(3)38-58(51)41-55/h8-44H,45H2,1-7H3
InChIKeyAGLDFLUEKZWUFX-UHFFFAOYSA-N
XLogP20.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500985.33
LogP ≤ 520.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 9,9-dimethyl-5-[9-methyl-4-[[9-methyl-3-(7-methylnaphthalen-2-yl)fluoren-9-yl]methyl]-2-(7-methylnaphthalen-2-yl)fluoren-9-yl]-1-(7-methylnaphthalen-2-yl)fluorene with MolForge

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Related Compounds

1-(7-iodonaphthalen-2-yl)-9,9-dimethyl-5-[9-methyl-2-(7-methylnaphthalen-2-yl)fluoren-9-yl]fluorene
CID 144939123
9-[9,9-dimethyl-8-(7-methylnaphthalen-2-yl)-4a,9a-dihydrofluoren-4-yl]-9-methyl-4-[[9-methyl-3-[7-methyl-4-[[9-methyl-4-(7-methylnaphthalen-2-yl)fluoren-9-yl]methyl]naphthalen-2-yl]fluoren-9-yl]methyl]-2-(7-methylnaphthalen-2-yl)fluorene
CID 123672990
3,9-dimethyl-6-phenyl-9-[(2,9,9-trimethylfluoren-4-yl)methyl]fluorene
CID 123569803
4-[(3,9-dimethylfluoren-9-yl)methyl]-2,9,9-trimethylfluorene
CID 123787852
4-[[2,9-dimethyl-3-(4-methylphenyl)-2,3-dihydrofluoren-9-yl]methyl]-9-[[9,9-dimethyl-8-(4-methylphenyl)fluoren-4-yl]methyl]-9-methyl-2-(4-methylphenyl)fluorene
CID 123683034
14-(9,9-dimethylfluoren-1-yl)-7,21-di(propan-2-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene;14-(9,9-dimethylfluoren-2-yl)-7,21-di(propan-2-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene;14-(9,9-dimethylfluoren-3-yl)-7,21-di(propan-2-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene;14-(5-methyl-2-phenylphenyl)-7,21-di(propan-2-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene
CID 159685197
7,7,12,12-tetramethyl-2-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]indeno[1,2-c]fluorene;7,7,12,12-tetramethyl-9-naphthalen-2-yl-2-(6-naphthalen-2-ylnaphthalen-2-yl)indeno[1,2-c]fluorene;9,9,14,14-tetramethyl-6-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 162101596
10-N-[2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-4-methylphenyl]-10-N-[2-[7-[9-[[7-[7-[3-[3-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[10-(N-naphthalen-2-ylanilino)anthracen-9-yl]anilino]phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-4-yl]methyl]-9-methylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-4-methylphenyl]-9-N-naphthalen-2-yl-9-N-phenylanthracene-9,10-diamine
CID 138667241
9,9-dimethyl-1-(2-methylphenyl)fluorene;9,9-dimethyl-1-(3-methylphenyl)fluorene;9,9-dimethyl-3-(2-methylphenyl)fluorene;9,9-dimethyl-3-(3-methylphenyl)fluorene;9,9-dimethyl-3-(4-methylphenyl)fluorene;3,9,9-trimethyl-4-phenylfluorene
CID 157253194
7,7-dimethyl-8-(10-naphthalen-2-ylanthracen-9-yl)benzo[c]fluorene
CID 140724269
2,7-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-4-naphthalen-2-ylfluorene
CID 123439239
9,9-dimethyl-2-naphthalen-1-ylfluorene;9,9-dimethyl-3-naphthalen-1-ylfluorene;3,6-dimethyl-1-phenylnaphthalene;2-naphthalen-1-ylanthracene;1-naphthalen-2-ylnaphthalene;2-naphthalen-1-ylphenanthrene;1-phenylnaphthalene
CID 158039423

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-5-[9-methyl-4-[[9-methyl-3-(7-methylnaphthalen-2-yl)fluoren-9-yl]methyl]-2-(7-methylnaphthalen-2-yl)fluoren-9-yl]-1-(7-methylnaphthalen-2-yl)fluorene?
The IUPAC name of 9,9-dimethyl-5-[9-methyl-4-[[9-methyl-3-(7-methylnaphthalen-2-yl)fluoren-9-yl]methyl]-2-(7-methylnaphthalen-2-yl)fluoren-9-yl]-1-(7-methylnaphthalen-2-yl)fluorene (CID 123751329) is 9,9-dimethyl-5-[9-methyl-4-[[9-methyl-3-(7-methylnaphthalen-2-yl)fluoren-9-yl]methyl]-2-(7-methylnaphthalen-2-yl)fluoren-9-yl]-1-(7-methylnaphthalen-2-yl)fluorene.
What is the SMILES notation for 9,9-dimethyl-5-[9-methyl-4-[[9-methyl-3-(7-methylnaphthalen-2-yl)fluoren-9-yl]methyl]-2-(7-methylnaphthalen-2-yl)fluoren-9-yl]-1-(7-methylnaphthalen-2-yl)fluorene?
The canonical SMILES for 9,9-dimethyl-5-[9-methyl-4-[[9-methyl-3-(7-methylnaphthalen-2-yl)fluoren-9-yl]methyl]-2-(7-methylnaphthalen-2-yl)fluoren-9-yl]-1-(7-methylnaphthalen-2-yl)fluorene is Cc1ccc2ccc(-c3ccc4c(c3)-c3ccccc3C4(C)Cc3cc(-c4ccc5ccc(C)cc5c4)cc4c3-c3ccccc3C4(C)c3cccc4c3-c3cccc(-c5ccc6ccc(C)cc6c5)c3C4(C)C)cc2c1.
What is the InChIKey of 9,9-dimethyl-5-[9-methyl-4-[[9-methyl-3-(7-methylnaphthalen-2-yl)fluoren-9-yl]methyl]-2-(7-methylnaphthalen-2-yl)fluoren-9-yl]-1-(7-methylnaphthalen-2-yl)fluorene?
The InChIKey is AGLDFLUEKZWUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H60/c1-46-22-25-49-28-31-52(39-56(49)36-46)54-34-35-67-65(43-54)62-14-8-10-18-66(62)76(67,6)45-60-42-59(53-32-29-50-26-23-47(2)37-57(50)40-53)44-71-72(60)63-15-9-11-19-68(63)77(71,7)70-21-13-20-69-73(70)64-17-12-16-61(74(64)75(69,4)5)55-33-30-51-27-24-48(3)38-58(51)41-55/h8-44H,45H2,1-7H3.
What are the key properties of 9,9-dimethyl-5-[9-methyl-4-[[9-methyl-3-(7-methylnaphthalen-2-yl)fluoren-9-yl]methyl]-2-(7-methylnaphthalen-2-yl)fluoren-9-yl]-1-(7-methylnaphthalen-2-yl)fluorene?
9,9-dimethyl-5-[9-methyl-4-[[9-methyl-3-(7-methylnaphthalen-2-yl)fluoren-9-yl]methyl]-2-(7-methylnaphthalen-2-yl)fluoren-9-yl]-1-(7-methylnaphthalen-2-yl)fluorene has a molecular weight of 985.33 g/mol, XLogP of 20.24, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-5-[9-methyl-4-[[9-methyl-3-(7-methylnaphthalen-2-yl)fluoren-9-yl]methyl]-2-(7-methylnaphthalen-2-yl)fluoren-9-yl]-1-(7-methylnaphthalen-2-yl)fluorene is sourced from PubChem (CID 123751329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).