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

C45H44O7 — CID 163033330

IUPAC(1S)-1,5,6-trimethoxy-9-phenyl-7-[(4R)-1,4,9-trimethoxy-3-(4-methoxyphenyl)-5,6-dihydro-4H-phenalen-2-yl]-2,3-dihydro-1H-phenalene
SMILESCOc1ccc(-c2c(-c3cc(-c4ccccc4)c4c5c(cc(OC)c(OC)c35)CC[C@@H]4OC)c(OC)c3c(OC)ccc4c3c2[C@H](OC)CC4)cc1
InChIInChI=1S/C45H44O7/c1-46-29-18-13-26(14-19-29)36-41(45(52-7)43-34(49-4)21-16-27-15-20-33(48-3)42(36)37(27)43)31-24-30(25-11-9-8-10-12-25)39-32(47-2)22-17-28-23-35(50-5)44(51-6)40(31)38(28)39/h8-14,16,18-19,21,23-24,32-33H,15,17,20,22H2,1-7H3/t32-,33+/m0/s1
InChIKeyDVNZNQYEWKKXOM-JHOUSYSJSA-N
MW696.84 g/mol
LogP10.30
Rot. Bonds10

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

(1S)-1,5,6-trimethoxy-9-phenyl-7-[(4R)-1,4,9-trimethoxy-3-(4-methoxyphenyl)-5,6-dihydro-4H-phenalen-2-yl]-2,3-dihydro-1H-phenalene (PubChem CID 163033330) has the molecular formula C45H44O7 and a molecular weight of 696.84 g/mol. Its IUPAC name is (1S)-1,5,6-trimethoxy-9-phenyl-7-[(4R)-1,4,9-trimethoxy-3-(4-methoxyphenyl)-5,6-dihydro-4H-phenalen-2-yl]-2,3-dihydro-1H-phenalene.

Molecular Properties

Compound Name(1S)-1,5,6-trimethoxy-9-phenyl-7-[(4R)-1,4,9-trimethoxy-3-(4-methoxyphenyl)-5,6-dihydro-4H-phenalen-2-yl]-2,3-dihydro-1H-phenalene
PubChem CID163033330
Molecular FormulaC45H44O7
Molecular Weight696.84 g/mol
Exact Mass696.31
IUPAC Name(1S)-1,5,6-trimethoxy-9-phenyl-7-[(4R)-1,4,9-trimethoxy-3-(4-methoxyphenyl)-5,6-dihydro-4H-phenalen-2-yl]-2,3-dihydro-1H-phenalene
SMILESCOc1ccc(-c2c(-c3cc(-c4ccccc4)c4c5c(cc(OC)c(OC)c35)CC[C@@H]4OC)c(OC)c3c(OC)ccc4c3c2[C@H](OC)CC4)cc1
InChIInChI=1S/C45H44O7/c1-46-29-18-13-26(14-19-29)36-41(45(52-7)43-34(49-4)21-16-27-15-20-33(48-3)42(36)37(27)43)31-24-30(25-11-9-8-10-12-25)39-32(47-2)22-17-28-23-35(50-5)44(51-6)40(31)38(28)39/h8-14,16,18-19,21,23-24,32-33H,15,17,20,22H2,1-7H3/t32-,33+/m0/s1
InChIKeyDVNZNQYEWKKXOM-JHOUSYSJSA-N
XLogP10.30
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.84
LogP ≤ 510.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of (1S)-1,5,6-trimethoxy-9-phenyl-7-[(4R)-1,4,9-trimethoxy-3-(4-methoxyphenyl)-5,6-dihydro-4H-phenalen-2-yl]-2,3-dihydro-1H-phenalene?
The IUPAC name of (1S)-1,5,6-trimethoxy-9-phenyl-7-[(4R)-1,4,9-trimethoxy-3-(4-methoxyphenyl)-5,6-dihydro-4H-phenalen-2-yl]-2,3-dihydro-1H-phenalene (CID 163033330) is (1S)-1,5,6-trimethoxy-9-phenyl-7-[(4R)-1,4,9-trimethoxy-3-(4-methoxyphenyl)-5,6-dihydro-4H-phenalen-2-yl]-2,3-dihydro-1H-phenalene.
What is the SMILES notation for (1S)-1,5,6-trimethoxy-9-phenyl-7-[(4R)-1,4,9-trimethoxy-3-(4-methoxyphenyl)-5,6-dihydro-4H-phenalen-2-yl]-2,3-dihydro-1H-phenalene?
The canonical SMILES for (1S)-1,5,6-trimethoxy-9-phenyl-7-[(4R)-1,4,9-trimethoxy-3-(4-methoxyphenyl)-5,6-dihydro-4H-phenalen-2-yl]-2,3-dihydro-1H-phenalene is COc1ccc(-c2c(-c3cc(-c4ccccc4)c4c5c(cc(OC)c(OC)c35)CC[C@@H]4OC)c(OC)c3c(OC)ccc4c3c2[C@H](OC)CC4)cc1.
What is the InChIKey of (1S)-1,5,6-trimethoxy-9-phenyl-7-[(4R)-1,4,9-trimethoxy-3-(4-methoxyphenyl)-5,6-dihydro-4H-phenalen-2-yl]-2,3-dihydro-1H-phenalene?
The InChIKey is DVNZNQYEWKKXOM-JHOUSYSJSA-N. The full InChI is InChI=1S/C45H44O7/c1-46-29-18-13-26(14-19-29)36-41(45(52-7)43-34(49-4)21-16-27-15-20-33(48-3)42(36)37(27)43)31-24-30(25-11-9-8-10-12-25)39-32(47-2)22-17-28-23-35(50-5)44(51-6)40(31)38(28)39/h8-14,16,18-19,21,23-24,32-33H,15,17,20,22H2,1-7H3/t32-,33+/m0/s1.
What are the key properties of (1S)-1,5,6-trimethoxy-9-phenyl-7-[(4R)-1,4,9-trimethoxy-3-(4-methoxyphenyl)-5,6-dihydro-4H-phenalen-2-yl]-2,3-dihydro-1H-phenalene?
(1S)-1,5,6-trimethoxy-9-phenyl-7-[(4R)-1,4,9-trimethoxy-3-(4-methoxyphenyl)-5,6-dihydro-4H-phenalen-2-yl]-2,3-dihydro-1H-phenalene has a molecular weight of 696.84 g/mol, XLogP of 10.30, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1,5,6-trimethoxy-9-phenyl-7-[(4R)-1,4,9-trimethoxy-3-(4-methoxyphenyl)-5,6-dihydro-4H-phenalen-2-yl]-2,3-dihydro-1H-phenalene is sourced from PubChem (CID 163033330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).