5,7-dihydroxy-1,4-bis(4-hydroxyphenyl)-3-[2-(4-hydroxyphenyl)ethyl]pyrrolo[2,3-c]carbazol-2-one

C34H24N2O6 — CID 135404841

IUPAC5,7-dihydroxy-1,4-bis(4-hydroxyphenyl)-3-[2-(4-hydroxyphenyl)ethyl]pyrrolo[2,3-c]carbazol-2-one
SMILESO=C1C(c2ccc(O)cc2)=c2c(c(-c3ccc(O)cc3)c(O)c3c2=c2cccc(O)c2=N3)N1CCc1ccc(O)cc1
InChIInChI=1S/C34H24N2O6/c37-21-10-4-18(5-11-21)16-17-36-32-27(20-8-14-23(39)15-9-20)33(41)31-28(24-2-1-3-25(40)30(24)35-31)29(32)26(34(36)42)19-6-12-22(38)13-7-19/h1-15,37-41H,16-17H2
InChIKeyLCVAFRKDNOUZKQ-UHFFFAOYSA-N
MW556.57 g/mol
LogP4.22
Rot. Bonds5

About 5,7-dihydroxy-1,4-bis(4-hydroxyphenyl)-3-[2-(4-hydroxyphenyl)ethyl]pyrrolo[2,3-c]carbazol-2-one

5,7-dihydroxy-1,4-bis(4-hydroxyphenyl)-3-[2-(4-hydroxyphenyl)ethyl]pyrrolo[2,3-c]carbazol-2-one (PubChem CID 135404841) has the molecular formula C34H24N2O6 and a molecular weight of 556.57 g/mol. Its IUPAC name is 5,7-dihydroxy-1,4-bis(4-hydroxyphenyl)-3-[2-(4-hydroxyphenyl)ethyl]pyrrolo[2,3-c]carbazol-2-one.

Molecular Properties

Compound Name5,7-dihydroxy-1,4-bis(4-hydroxyphenyl)-3-[2-(4-hydroxyphenyl)ethyl]pyrrolo[2,3-c]carbazol-2-one
PubChem CID135404841
Molecular FormulaC34H24N2O6
Molecular Weight556.57 g/mol
Exact Mass556.16
IUPAC Name5,7-dihydroxy-1,4-bis(4-hydroxyphenyl)-3-[2-(4-hydroxyphenyl)ethyl]pyrrolo[2,3-c]carbazol-2-one
SMILESO=C1C(c2ccc(O)cc2)=c2c(c(-c3ccc(O)cc3)c(O)c3c2=c2cccc(O)c2=N3)N1CCc1ccc(O)cc1
InChIInChI=1S/C34H24N2O6/c37-21-10-4-18(5-11-21)16-17-36-32-27(20-8-14-23(39)15-9-20)33(41)31-28(24-2-1-3-25(40)30(24)35-31)29(32)26(34(36)42)19-6-12-22(38)13-7-19/h1-15,37-41H,16-17H2
InChIKeyLCVAFRKDNOUZKQ-UHFFFAOYSA-N
XLogP4.22
TPSA133.82 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.57
LogP ≤ 54.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-1,4-bis(4-hydroxyphenyl)-3-[2-(4-hydroxyphenyl)ethyl]pyrrolo[2,3-c]carbazol-2-one?
The IUPAC name of 5,7-dihydroxy-1,4-bis(4-hydroxyphenyl)-3-[2-(4-hydroxyphenyl)ethyl]pyrrolo[2,3-c]carbazol-2-one (CID 135404841) is 5,7-dihydroxy-1,4-bis(4-hydroxyphenyl)-3-[2-(4-hydroxyphenyl)ethyl]pyrrolo[2,3-c]carbazol-2-one.
What is the SMILES notation for 5,7-dihydroxy-1,4-bis(4-hydroxyphenyl)-3-[2-(4-hydroxyphenyl)ethyl]pyrrolo[2,3-c]carbazol-2-one?
The canonical SMILES for 5,7-dihydroxy-1,4-bis(4-hydroxyphenyl)-3-[2-(4-hydroxyphenyl)ethyl]pyrrolo[2,3-c]carbazol-2-one is O=C1C(c2ccc(O)cc2)=c2c(c(-c3ccc(O)cc3)c(O)c3c2=c2cccc(O)c2=N3)N1CCc1ccc(O)cc1.
What is the InChIKey of 5,7-dihydroxy-1,4-bis(4-hydroxyphenyl)-3-[2-(4-hydroxyphenyl)ethyl]pyrrolo[2,3-c]carbazol-2-one?
The InChIKey is LCVAFRKDNOUZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24N2O6/c37-21-10-4-18(5-11-21)16-17-36-32-27(20-8-14-23(39)15-9-20)33(41)31-28(24-2-1-3-25(40)30(24)35-31)29(32)26(34(36)42)19-6-12-22(38)13-7-19/h1-15,37-41H,16-17H2.
What are the key properties of 5,7-dihydroxy-1,4-bis(4-hydroxyphenyl)-3-[2-(4-hydroxyphenyl)ethyl]pyrrolo[2,3-c]carbazol-2-one?
5,7-dihydroxy-1,4-bis(4-hydroxyphenyl)-3-[2-(4-hydroxyphenyl)ethyl]pyrrolo[2,3-c]carbazol-2-one has a molecular weight of 556.57 g/mol, XLogP of 4.22, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-1,4-bis(4-hydroxyphenyl)-3-[2-(4-hydroxyphenyl)ethyl]pyrrolo[2,3-c]carbazol-2-one is sourced from PubChem (CID 135404841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).