4-[4-[2-[4-(4-hydroxycyclohepta-1,3,5,6-tetraen-1-yl)-4-(4-hydroxyphenyl)cyclohexyl]propan-2-yl]-1-(4-hydroxycyclohexa-1,5-dien-1-yl)cyclohexyl]cyclohepta-1,3,5,6-tetraen-1-ol;lawrencium

C41H46Lr2O4 — CID 142030742

IUPAC4-[4-[2-[4-(4-hydroxycyclohepta-1,3,5,6-tetraen-1-yl)-4-(4-hydroxyphenyl)cyclohexyl]propan-2-yl]-1-(4-hydroxycyclohexa-1,5-dien-1-yl)cyclohexyl]cyclohepta-1,3,5,6-tetraen-1-ol;lawrencium
SMILESCC(C)(C1CCC(C2=CC=C(O)C=C=C2)(C2=CCC(O)C=C2)CC1)C1CCC(C2=CC=C(O)C=C=C2)(c2ccc(O)cc2)CC1.[Lr].[Lr]
InChIInChI=1S/C41H46O4.2Lr/c1-39(2,29-21-25-40(26-22-29,33-11-17-37(44)18-12-33)31-5-3-7-35(42)15-9-31)30-23-27-41(28-24-30,34-13-19-38(45)20-14-34)32-6-4-8-36(43)16-10-32;;/h5-19,29-30,38,42-45H,20-28H2,1-2H3;;
InChIKeyDLLDNUDWPXAEEE-UHFFFAOYSA-N
MW1126.81 g/mol
LogP9.46
Rot. Bonds6

About 4-[4-[2-[4-(4-hydroxycyclohepta-1,3,5,6-tetraen-1-yl)-4-(4-hydroxyphenyl)cyclohexyl]propan-2-yl]-1-(4-hydroxycyclohexa-1,5-dien-1-yl)cyclohexyl]cyclohepta-1,3,5,6-tetraen-1-ol;lawrencium

4-[4-[2-[4-(4-hydroxycyclohepta-1,3,5,6-tetraen-1-yl)-4-(4-hydroxyphenyl)cyclohexyl]propan-2-yl]-1-(4-hydroxycyclohexa-1,5-dien-1-yl)cyclohexyl]cyclohepta-1,3,5,6-tetraen-1-ol;lawrencium (PubChem CID 142030742) has the molecular formula C41H46Lr2O4 and a molecular weight of 1126.81 g/mol. Its IUPAC name is 4-[4-[2-[4-(4-hydroxycyclohepta-1,3,5,6-tetraen-1-yl)-4-(4-hydroxyphenyl)cyclohexyl]propan-2-yl]-1-(4-hydroxycyclohexa-1,5-dien-1-yl)cyclohexyl]cyclohepta-1,3,5,6-tetraen-1-ol;lawrencium.

Molecular Properties

Compound Name4-[4-[2-[4-(4-hydroxycyclohepta-1,3,5,6-tetraen-1-yl)-4-(4-hydroxyphenyl)cyclohexyl]propan-2-yl]-1-(4-hydroxycyclohexa-1,5-dien-1-yl)cyclohexyl]cyclohepta-1,3,5,6-tetraen-1-ol;lawrencium
PubChem CID142030742
Molecular FormulaC41H46Lr2O4
Molecular Weight1126.81 g/mol
Exact Mass1126.56
IUPAC Name4-[4-[2-[4-(4-hydroxycyclohepta-1,3,5,6-tetraen-1-yl)-4-(4-hydroxyphenyl)cyclohexyl]propan-2-yl]-1-(4-hydroxycyclohexa-1,5-dien-1-yl)cyclohexyl]cyclohepta-1,3,5,6-tetraen-1-ol;lawrencium
SMILESCC(C)(C1CCC(C2=CC=C(O)C=C=C2)(C2=CCC(O)C=C2)CC1)C1CCC(C2=CC=C(O)C=C=C2)(c2ccc(O)cc2)CC1.[Lr].[Lr]
InChIInChI=1S/C41H46O4.2Lr/c1-39(2,29-21-25-40(26-22-29,33-11-17-37(44)18-12-33)31-5-3-7-35(42)15-9-31)30-23-27-41(28-24-30,34-13-19-38(45)20-14-34)32-6-4-8-36(43)16-10-32;;/h5-19,29-30,38,42-45H,20-28H2,1-2H3;;
InChIKeyDLLDNUDWPXAEEE-UHFFFAOYSA-N
XLogP9.46
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001126.81
LogP ≤ 59.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-[4-[2-[4-(4-hydroxycyclohepta-1,3,5,6-tetraen-1-yl)-4-(4-hydroxyphenyl)cyclohexyl]propan-2-yl]-1-(4-hydroxycyclohexa-1,5-dien-1-yl)cyclohexyl]cyclohepta-1,3,5,6-tetraen-1-ol;lawrencium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[4-(4-hydroxycyclohepta-1,3,5,6-tetraen-1-yl)-4-(4-hydroxyphenyl)cyclohexyl]propan-2-yl]-1-(4-hydroxycyclohexa-1,5-dien-1-yl)cyclohexyl]cyclohepta-1,3,5,6-tetraen-1-ol;lawrencium?
The IUPAC name of 4-[4-[2-[4-(4-hydroxycyclohepta-1,3,5,6-tetraen-1-yl)-4-(4-hydroxyphenyl)cyclohexyl]propan-2-yl]-1-(4-hydroxycyclohexa-1,5-dien-1-yl)cyclohexyl]cyclohepta-1,3,5,6-tetraen-1-ol;lawrencium (CID 142030742) is 4-[4-[2-[4-(4-hydroxycyclohepta-1,3,5,6-tetraen-1-yl)-4-(4-hydroxyphenyl)cyclohexyl]propan-2-yl]-1-(4-hydroxycyclohexa-1,5-dien-1-yl)cyclohexyl]cyclohepta-1,3,5,6-tetraen-1-ol;lawrencium.
What is the SMILES notation for 4-[4-[2-[4-(4-hydroxycyclohepta-1,3,5,6-tetraen-1-yl)-4-(4-hydroxyphenyl)cyclohexyl]propan-2-yl]-1-(4-hydroxycyclohexa-1,5-dien-1-yl)cyclohexyl]cyclohepta-1,3,5,6-tetraen-1-ol;lawrencium?
The canonical SMILES for 4-[4-[2-[4-(4-hydroxycyclohepta-1,3,5,6-tetraen-1-yl)-4-(4-hydroxyphenyl)cyclohexyl]propan-2-yl]-1-(4-hydroxycyclohexa-1,5-dien-1-yl)cyclohexyl]cyclohepta-1,3,5,6-tetraen-1-ol;lawrencium is CC(C)(C1CCC(C2=CC=C(O)C=C=C2)(C2=CCC(O)C=C2)CC1)C1CCC(C2=CC=C(O)C=C=C2)(c2ccc(O)cc2)CC1.[Lr].[Lr].
What is the InChIKey of 4-[4-[2-[4-(4-hydroxycyclohepta-1,3,5,6-tetraen-1-yl)-4-(4-hydroxyphenyl)cyclohexyl]propan-2-yl]-1-(4-hydroxycyclohexa-1,5-dien-1-yl)cyclohexyl]cyclohepta-1,3,5,6-tetraen-1-ol;lawrencium?
The InChIKey is DLLDNUDWPXAEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H46O4.2Lr/c1-39(2,29-21-25-40(26-22-29,33-11-17-37(44)18-12-33)31-5-3-7-35(42)15-9-31)30-23-27-41(28-24-30,34-13-19-38(45)20-14-34)32-6-4-8-36(43)16-10-32;;/h5-19,29-30,38,42-45H,20-28H2,1-2H3;;.
What are the key properties of 4-[4-[2-[4-(4-hydroxycyclohepta-1,3,5,6-tetraen-1-yl)-4-(4-hydroxyphenyl)cyclohexyl]propan-2-yl]-1-(4-hydroxycyclohexa-1,5-dien-1-yl)cyclohexyl]cyclohepta-1,3,5,6-tetraen-1-ol;lawrencium?
4-[4-[2-[4-(4-hydroxycyclohepta-1,3,5,6-tetraen-1-yl)-4-(4-hydroxyphenyl)cyclohexyl]propan-2-yl]-1-(4-hydroxycyclohexa-1,5-dien-1-yl)cyclohexyl]cyclohepta-1,3,5,6-tetraen-1-ol;lawrencium has a molecular weight of 1126.81 g/mol, XLogP of 9.46, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[4-(4-hydroxycyclohepta-1,3,5,6-tetraen-1-yl)-4-(4-hydroxyphenyl)cyclohexyl]propan-2-yl]-1-(4-hydroxycyclohexa-1,5-dien-1-yl)cyclohexyl]cyclohepta-1,3,5,6-tetraen-1-ol;lawrencium is sourced from PubChem (CID 142030742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).