9-benzyl-1-(9-benzyl-2-hydroxy-3-prop-2-enylcarbazol-1-yl)-3-prop-2-enylcarbazol-2-ol

C44H36N2O2 — CID 134962065

IUPAC9-benzyl-1-(9-benzyl-2-hydroxy-3-prop-2-enylcarbazol-1-yl)-3-prop-2-enylcarbazol-2-ol
SMILESC=CCc1cc2c3ccccc3n(Cc3ccccc3)c2c(-c2c(O)c(CC=C)cc3c4ccccc4n(Cc4ccccc4)c23)c1O
InChIInChI=1S/C44H36N2O2/c1-3-15-31-25-35-33-21-11-13-23-37(33)45(27-29-17-7-5-8-18-29)41(35)39(43(31)47)40-42-36(26-32(16-4-2)44(40)48)34-22-12-14-24-38(34)46(42)28-30-19-9-6-10-20-30/h3-14,17-26,47-48H,1-2,15-16,27-28H2
InChIKeyHWHBMVMDGQKGOA-UHFFFAOYSA-N
MW624.78 g/mol
LogP10.53
Rot. Bonds9

About 9-benzyl-1-(9-benzyl-2-hydroxy-3-prop-2-enylcarbazol-1-yl)-3-prop-2-enylcarbazol-2-ol

9-benzyl-1-(9-benzyl-2-hydroxy-3-prop-2-enylcarbazol-1-yl)-3-prop-2-enylcarbazol-2-ol (PubChem CID 134962065) has the molecular formula C44H36N2O2 and a molecular weight of 624.78 g/mol. Its IUPAC name is 9-benzyl-1-(9-benzyl-2-hydroxy-3-prop-2-enylcarbazol-1-yl)-3-prop-2-enylcarbazol-2-ol.

Molecular Properties

Compound Name9-benzyl-1-(9-benzyl-2-hydroxy-3-prop-2-enylcarbazol-1-yl)-3-prop-2-enylcarbazol-2-ol
PubChem CID134962065
Molecular FormulaC44H36N2O2
Molecular Weight624.78 g/mol
Exact Mass624.28
IUPAC Name9-benzyl-1-(9-benzyl-2-hydroxy-3-prop-2-enylcarbazol-1-yl)-3-prop-2-enylcarbazol-2-ol
SMILESC=CCc1cc2c3ccccc3n(Cc3ccccc3)c2c(-c2c(O)c(CC=C)cc3c4ccccc4n(Cc4ccccc4)c23)c1O
InChIInChI=1S/C44H36N2O2/c1-3-15-31-25-35-33-21-11-13-23-37(33)45(27-29-17-7-5-8-18-29)41(35)39(43(31)47)40-42-36(26-32(16-4-2)44(40)48)34-22-12-14-24-38(34)46(42)28-30-19-9-6-10-20-30/h3-14,17-26,47-48H,1-2,15-16,27-28H2
InChIKeyHWHBMVMDGQKGOA-UHFFFAOYSA-N
XLogP10.53
TPSA50.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.78
LogP ≤ 510.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-benzyl-1-(9-benzyl-2-hydroxy-3-prop-2-enylcarbazol-1-yl)-3-prop-2-enylcarbazol-2-ol?
The IUPAC name of 9-benzyl-1-(9-benzyl-2-hydroxy-3-prop-2-enylcarbazol-1-yl)-3-prop-2-enylcarbazol-2-ol (CID 134962065) is 9-benzyl-1-(9-benzyl-2-hydroxy-3-prop-2-enylcarbazol-1-yl)-3-prop-2-enylcarbazol-2-ol.
What is the SMILES notation for 9-benzyl-1-(9-benzyl-2-hydroxy-3-prop-2-enylcarbazol-1-yl)-3-prop-2-enylcarbazol-2-ol?
The canonical SMILES for 9-benzyl-1-(9-benzyl-2-hydroxy-3-prop-2-enylcarbazol-1-yl)-3-prop-2-enylcarbazol-2-ol is C=CCc1cc2c3ccccc3n(Cc3ccccc3)c2c(-c2c(O)c(CC=C)cc3c4ccccc4n(Cc4ccccc4)c23)c1O.
What is the InChIKey of 9-benzyl-1-(9-benzyl-2-hydroxy-3-prop-2-enylcarbazol-1-yl)-3-prop-2-enylcarbazol-2-ol?
The InChIKey is HWHBMVMDGQKGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H36N2O2/c1-3-15-31-25-35-33-21-11-13-23-37(33)45(27-29-17-7-5-8-18-29)41(35)39(43(31)47)40-42-36(26-32(16-4-2)44(40)48)34-22-12-14-24-38(34)46(42)28-30-19-9-6-10-20-30/h3-14,17-26,47-48H,1-2,15-16,27-28H2.
What are the key properties of 9-benzyl-1-(9-benzyl-2-hydroxy-3-prop-2-enylcarbazol-1-yl)-3-prop-2-enylcarbazol-2-ol?
9-benzyl-1-(9-benzyl-2-hydroxy-3-prop-2-enylcarbazol-1-yl)-3-prop-2-enylcarbazol-2-ol has a molecular weight of 624.78 g/mol, XLogP of 10.53, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-1-(9-benzyl-2-hydroxy-3-prop-2-enylcarbazol-1-yl)-3-prop-2-enylcarbazol-2-ol is sourced from PubChem (CID 134962065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).