3-[4-[7,10-bis(4-methoxyphenyl)-8,9-diphenylfluoranthen-3-yl]naphthalen-1-yl]-7,10-bis(4-methoxyphenyl)-8,9-diphenylfluoranthene

C94H64O4 — CID 163603931

IUPAC3-[4-[7,10-bis(4-methoxyphenyl)-8,9-diphenylfluoranthen-3-yl]naphthalen-1-yl]-7,10-bis(4-methoxyphenyl)-8,9-diphenylfluoranthene
SMILESCOc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccc(OC)cc3)c3c2-c2cccc4c(-c5ccc(-c6ccc7c8c(cccc68)-c6c(-c8ccc(OC)cc8)c(-c8ccccc8)c(-c8ccccc8)c(-c8ccc(OC)cc8)c6-7)c6ccccc56)ccc-3c24)cc1
InChIInChI=1S/C94H64O4/c1-95-65-43-35-61(36-44-65)85-81(57-21-9-5-10-22-57)83(59-25-13-7-14-26-59)87(63-39-47-67(97-3)48-40-63)93-79-55-53-73(75-31-19-33-77(89(75)79)91(85)93)71-51-52-72(70-30-18-17-29-69(70)71)74-54-56-80-90-76(74)32-20-34-78(90)92-86(62-37-45-66(96-2)46-38-62)82(58-23-11-6-12-24-58)84(60-27-15-8-16-28-60)88(94(80)92)64-41-49-68(98-4)50-42-64/h5-56H,1-4H3
InChIKeyHACZLCHRQYHGHN-UHFFFAOYSA-N
MW1257.54 g/mol
LogP25.15
Rot. Bonds14

About 3-[4-[7,10-bis(4-methoxyphenyl)-8,9-diphenylfluoranthen-3-yl]naphthalen-1-yl]-7,10-bis(4-methoxyphenyl)-8,9-diphenylfluoranthene

3-[4-[7,10-bis(4-methoxyphenyl)-8,9-diphenylfluoranthen-3-yl]naphthalen-1-yl]-7,10-bis(4-methoxyphenyl)-8,9-diphenylfluoranthene (PubChem CID 163603931) has the molecular formula C94H64O4 and a molecular weight of 1257.54 g/mol. Its IUPAC name is 3-[4-[7,10-bis(4-methoxyphenyl)-8,9-diphenylfluoranthen-3-yl]naphthalen-1-yl]-7,10-bis(4-methoxyphenyl)-8,9-diphenylfluoranthene.

Molecular Properties

Compound Name3-[4-[7,10-bis(4-methoxyphenyl)-8,9-diphenylfluoranthen-3-yl]naphthalen-1-yl]-7,10-bis(4-methoxyphenyl)-8,9-diphenylfluoranthene
PubChem CID163603931
Molecular FormulaC94H64O4
Molecular Weight1257.54 g/mol
Exact Mass1256.48
IUPAC Name3-[4-[7,10-bis(4-methoxyphenyl)-8,9-diphenylfluoranthen-3-yl]naphthalen-1-yl]-7,10-bis(4-methoxyphenyl)-8,9-diphenylfluoranthene
SMILESCOc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccc(OC)cc3)c3c2-c2cccc4c(-c5ccc(-c6ccc7c8c(cccc68)-c6c(-c8ccc(OC)cc8)c(-c8ccccc8)c(-c8ccccc8)c(-c8ccc(OC)cc8)c6-7)c6ccccc56)ccc-3c24)cc1
InChIInChI=1S/C94H64O4/c1-95-65-43-35-61(36-44-65)85-81(57-21-9-5-10-22-57)83(59-25-13-7-14-26-59)87(63-39-47-67(97-3)48-40-63)93-79-55-53-73(75-31-19-33-77(89(75)79)91(85)93)71-51-52-72(70-30-18-17-29-69(70)71)74-54-56-80-90-76(74)32-20-34-78(90)92-86(62-37-45-66(96-2)46-38-62)82(58-23-11-6-12-24-58)84(60-27-15-8-16-28-60)88(94(80)92)64-41-49-68(98-4)50-42-64/h5-56H,1-4H3
InChIKeyHACZLCHRQYHGHN-UHFFFAOYSA-N
XLogP25.15
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001257.54
LogP ≤ 525.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-(7,10-diphenylfluoranthen-3-yl)-3,15-bis(4-methoxyphenyl)-22-[4-(4-methoxyphenyl)naphthalen-1-yl]heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene
CID 163714484
7,12-bis(4-methoxyphenyl)-3-naphthalen-2-ylbenzo[k]fluoranthene
CID 71105856
12-phenyl-7-(4-phenylphenyl)-4-[12-phenyl-7-(4-phenylphenyl)benzo[k]fluoranthen-4-yl]benzo[k]fluoranthene
CID 58988853
7,8,9,10-tetraphenyl-3-[10-(7,8,9,10-tetraphenylfluoranthen-3-yl)anthracen-9-yl]fluoranthene;7,8,9,10-tetraphenyl-3-[4-(7,8,9,10-tetraphenylfluoranthen-3-yl)naphthalen-1-yl]fluoranthene;7,8,9,10-tetraphenyl-3-[6-(7,8,9,10-tetraphenylfluoranthen-3-yl)naphthalen-2-yl]fluoranthene
CID 161027167
1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene
CID 138981847
7,8,9,10-tetraphenyl-3-[7-(7,8,9,10-tetraphenylfluoranthen-3-yl)naphthalen-2-yl]fluoranthene
CID 59805110
3-[9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthen-3-yl]-9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthene
CID 58988857
methyl 3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)naphthalene-2-carboxylate
CID 147636205
methyl 2-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-5-naphthalen-2-ylbenzoate
CID 142347605
7,12-diphenyl-3-(10-phenylanthracen-9-yl)benzo[k]fluoranthene
CID 58988922
3,15-bis(4-methoxyphenyl)-26,27,29-triphenyldodecacyclo[18.17.2.221,24.15,9.02,16.04,14.017,38.022,34.023,31.025,30.035,39.013,42]dotetraconta-1(38),2,4(14),5,7,9(42),10,12,15,17,19,21(41),22(34),23(31),24(40),25,27,29,32,35(39),36-henicosaene
CID 163861356
7,12-bis(4-methoxyphenyl)-3,9-dimethylbenzo[k]fluoranthene
CID 71142914

Frequently Asked Questions

What is the IUPAC name of 3-[4-[7,10-bis(4-methoxyphenyl)-8,9-diphenylfluoranthen-3-yl]naphthalen-1-yl]-7,10-bis(4-methoxyphenyl)-8,9-diphenylfluoranthene?
The IUPAC name of 3-[4-[7,10-bis(4-methoxyphenyl)-8,9-diphenylfluoranthen-3-yl]naphthalen-1-yl]-7,10-bis(4-methoxyphenyl)-8,9-diphenylfluoranthene (CID 163603931) is 3-[4-[7,10-bis(4-methoxyphenyl)-8,9-diphenylfluoranthen-3-yl]naphthalen-1-yl]-7,10-bis(4-methoxyphenyl)-8,9-diphenylfluoranthene.
What is the SMILES notation for 3-[4-[7,10-bis(4-methoxyphenyl)-8,9-diphenylfluoranthen-3-yl]naphthalen-1-yl]-7,10-bis(4-methoxyphenyl)-8,9-diphenylfluoranthene?
The canonical SMILES for 3-[4-[7,10-bis(4-methoxyphenyl)-8,9-diphenylfluoranthen-3-yl]naphthalen-1-yl]-7,10-bis(4-methoxyphenyl)-8,9-diphenylfluoranthene is COc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccc(OC)cc3)c3c2-c2cccc4c(-c5ccc(-c6ccc7c8c(cccc68)-c6c(-c8ccc(OC)cc8)c(-c8ccccc8)c(-c8ccccc8)c(-c8ccc(OC)cc8)c6-7)c6ccccc56)ccc-3c24)cc1.
What is the InChIKey of 3-[4-[7,10-bis(4-methoxyphenyl)-8,9-diphenylfluoranthen-3-yl]naphthalen-1-yl]-7,10-bis(4-methoxyphenyl)-8,9-diphenylfluoranthene?
The InChIKey is HACZLCHRQYHGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H64O4/c1-95-65-43-35-61(36-44-65)85-81(57-21-9-5-10-22-57)83(59-25-13-7-14-26-59)87(63-39-47-67(97-3)48-40-63)93-79-55-53-73(75-31-19-33-77(89(75)79)91(85)93)71-51-52-72(70-30-18-17-29-69(70)71)74-54-56-80-90-76(74)32-20-34-78(90)92-86(62-37-45-66(96-2)46-38-62)82(58-23-11-6-12-24-58)84(60-27-15-8-16-28-60)88(94(80)92)64-41-49-68(98-4)50-42-64/h5-56H,1-4H3.
What are the key properties of 3-[4-[7,10-bis(4-methoxyphenyl)-8,9-diphenylfluoranthen-3-yl]naphthalen-1-yl]-7,10-bis(4-methoxyphenyl)-8,9-diphenylfluoranthene?
3-[4-[7,10-bis(4-methoxyphenyl)-8,9-diphenylfluoranthen-3-yl]naphthalen-1-yl]-7,10-bis(4-methoxyphenyl)-8,9-diphenylfluoranthene has a molecular weight of 1257.54 g/mol, XLogP of 25.15, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[7,10-bis(4-methoxyphenyl)-8,9-diphenylfluoranthen-3-yl]naphthalen-1-yl]-7,10-bis(4-methoxyphenyl)-8,9-diphenylfluoranthene is sourced from PubChem (CID 163603931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).