(1S)-1,6,8-trimethoxy-9-(4-methoxyphenyl)-7-[(4R)-2,4,9-trimethoxy-3-(4-methoxyphenyl)-5,6-dihydro-4H-phenalen-1-yl]-2,3-dihydro-1H-phenalene

C46H46O8 — CID 163044374

IUPAC(1S)-1,6,8-trimethoxy-9-(4-methoxyphenyl)-7-[(4R)-2,4,9-trimethoxy-3-(4-methoxyphenyl)-5,6-dihydro-4H-phenalen-1-yl]-2,3-dihydro-1H-phenalene
SMILESCOc1ccc(-c2c(OC)c(-c3c(OC)c(-c4ccc(OC)cc4)c4c5c(ccc(OC)c35)CC[C@H]4OC)c3c(OC)ccc4c3c2[C@@H](OC)CC4)cc1
InChIInChI=1S/C46H46O8/c1-47-29-17-9-27(10-18-29)37-39-31(49-3)21-13-25-15-23-33(51-5)41(35(25)39)43(45(37)53-7)44-42-34(52-6)24-16-26-14-22-32(50-4)40(36(26)42)38(46(44)54-8)28-11-19-30(48-2)20-12-28/h9-12,15-20,23-24,31-32H,13-14,21-22H2,1-8H3/t31-,32+
InChIKeyZZOOPDZXZOMMBA-MEKGRNQZSA-N
MW726.87 g/mol
LogP10.31
Rot. Bonds11

About (1S)-1,6,8-trimethoxy-9-(4-methoxyphenyl)-7-[(4R)-2,4,9-trimethoxy-3-(4-methoxyphenyl)-5,6-dihydro-4H-phenalen-1-yl]-2,3-dihydro-1H-phenalene

(1S)-1,6,8-trimethoxy-9-(4-methoxyphenyl)-7-[(4R)-2,4,9-trimethoxy-3-(4-methoxyphenyl)-5,6-dihydro-4H-phenalen-1-yl]-2,3-dihydro-1H-phenalene (PubChem CID 163044374) has the molecular formula C46H46O8 and a molecular weight of 726.87 g/mol. Its IUPAC name is (1S)-1,6,8-trimethoxy-9-(4-methoxyphenyl)-7-[(4R)-2,4,9-trimethoxy-3-(4-methoxyphenyl)-5,6-dihydro-4H-phenalen-1-yl]-2,3-dihydro-1H-phenalene.

Molecular Properties

Compound Name(1S)-1,6,8-trimethoxy-9-(4-methoxyphenyl)-7-[(4R)-2,4,9-trimethoxy-3-(4-methoxyphenyl)-5,6-dihydro-4H-phenalen-1-yl]-2,3-dihydro-1H-phenalene
PubChem CID163044374
Molecular FormulaC46H46O8
Molecular Weight726.87 g/mol
Exact Mass726.32
IUPAC Name(1S)-1,6,8-trimethoxy-9-(4-methoxyphenyl)-7-[(4R)-2,4,9-trimethoxy-3-(4-methoxyphenyl)-5,6-dihydro-4H-phenalen-1-yl]-2,3-dihydro-1H-phenalene
SMILESCOc1ccc(-c2c(OC)c(-c3c(OC)c(-c4ccc(OC)cc4)c4c5c(ccc(OC)c35)CC[C@H]4OC)c3c(OC)ccc4c3c2[C@@H](OC)CC4)cc1
InChIInChI=1S/C46H46O8/c1-47-29-17-9-27(10-18-29)37-39-31(49-3)21-13-25-15-23-33(51-5)41(35(25)39)43(45(37)53-7)44-42-34(52-6)24-16-26-14-22-32(50-4)40(36(26)42)38(46(44)54-8)28-11-19-30(48-2)20-12-28/h9-12,15-20,23-24,31-32H,13-14,21-22H2,1-8H3/t31-,32+
InChIKeyZZOOPDZXZOMMBA-MEKGRNQZSA-N
XLogP10.31
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.87
LogP ≤ 510.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (1S)-1,6,8-trimethoxy-9-(4-methoxyphenyl)-7-[(4R)-2,4,9-trimethoxy-3-(4-methoxyphenyl)-5,6-dihydro-4H-phenalen-1-yl]-2,3-dihydro-1H-phenalene with MolForge

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Related Compounds

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CID 83107
C.I. Vat Green 1
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CID 44600287
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CID 9982511
(3S,4S)-5-((3S,4S)-4,10-dihydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo(g)isochromen-5-yl)-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo(g)isochromene-4,10-diol
CID 10257591
1-((4-Hydroxyphenyl)methyl)-4-methoxyphenanthrene-2,7-diol
CID 14630664
2,2'-Dimethoxy-1,1'-binaphthyl
CID 235616
(R)-(+)-2'-Methoxy-(1,1'-binaphthalen)-2-ol
CID 318597
2,3-Dihydro-4-(4-methoxyphenyl)-1H-phenalene-1,2,3-triol
CID 74027046
Anthracene, 9,10-methoxy-
CID 614085
Cirrhopetalanthrin
CID 442695
Gymconopin C
CID 11465808

Frequently Asked Questions

What is the IUPAC name of (1S)-1,6,8-trimethoxy-9-(4-methoxyphenyl)-7-[(4R)-2,4,9-trimethoxy-3-(4-methoxyphenyl)-5,6-dihydro-4H-phenalen-1-yl]-2,3-dihydro-1H-phenalene?
The IUPAC name of (1S)-1,6,8-trimethoxy-9-(4-methoxyphenyl)-7-[(4R)-2,4,9-trimethoxy-3-(4-methoxyphenyl)-5,6-dihydro-4H-phenalen-1-yl]-2,3-dihydro-1H-phenalene (CID 163044374) is (1S)-1,6,8-trimethoxy-9-(4-methoxyphenyl)-7-[(4R)-2,4,9-trimethoxy-3-(4-methoxyphenyl)-5,6-dihydro-4H-phenalen-1-yl]-2,3-dihydro-1H-phenalene.
What is the SMILES notation for (1S)-1,6,8-trimethoxy-9-(4-methoxyphenyl)-7-[(4R)-2,4,9-trimethoxy-3-(4-methoxyphenyl)-5,6-dihydro-4H-phenalen-1-yl]-2,3-dihydro-1H-phenalene?
The canonical SMILES for (1S)-1,6,8-trimethoxy-9-(4-methoxyphenyl)-7-[(4R)-2,4,9-trimethoxy-3-(4-methoxyphenyl)-5,6-dihydro-4H-phenalen-1-yl]-2,3-dihydro-1H-phenalene is COc1ccc(-c2c(OC)c(-c3c(OC)c(-c4ccc(OC)cc4)c4c5c(ccc(OC)c35)CC[C@H]4OC)c3c(OC)ccc4c3c2[C@@H](OC)CC4)cc1.
What is the InChIKey of (1S)-1,6,8-trimethoxy-9-(4-methoxyphenyl)-7-[(4R)-2,4,9-trimethoxy-3-(4-methoxyphenyl)-5,6-dihydro-4H-phenalen-1-yl]-2,3-dihydro-1H-phenalene?
The InChIKey is ZZOOPDZXZOMMBA-MEKGRNQZSA-N. The full InChI is InChI=1S/C46H46O8/c1-47-29-17-9-27(10-18-29)37-39-31(49-3)21-13-25-15-23-33(51-5)41(35(25)39)43(45(37)53-7)44-42-34(52-6)24-16-26-14-22-32(50-4)40(36(26)42)38(46(44)54-8)28-11-19-30(48-2)20-12-28/h9-12,15-20,23-24,31-32H,13-14,21-22H2,1-8H3/t31-,32+.
What are the key properties of (1S)-1,6,8-trimethoxy-9-(4-methoxyphenyl)-7-[(4R)-2,4,9-trimethoxy-3-(4-methoxyphenyl)-5,6-dihydro-4H-phenalen-1-yl]-2,3-dihydro-1H-phenalene?
(1S)-1,6,8-trimethoxy-9-(4-methoxyphenyl)-7-[(4R)-2,4,9-trimethoxy-3-(4-methoxyphenyl)-5,6-dihydro-4H-phenalen-1-yl]-2,3-dihydro-1H-phenalene has a molecular weight of 726.87 g/mol, XLogP of 10.31, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1,6,8-trimethoxy-9-(4-methoxyphenyl)-7-[(4R)-2,4,9-trimethoxy-3-(4-methoxyphenyl)-5,6-dihydro-4H-phenalen-1-yl]-2,3-dihydro-1H-phenalene is sourced from PubChem (CID 163044374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).