8-(3-hydroxy-7-methoxy-6-methyl-9H-carbazol-4-yl)-3,3,10-trimethyl-7H-pyrano[3,2-g]carbazol-9-ol

C32H28N2O4 — CID 57409126

IUPAC8-(3-hydroxy-7-methoxy-6-methyl-9H-carbazol-4-yl)-3,3,10-trimethyl-7H-pyrano[3,2-g]carbazol-9-ol
SMILESCOc1cc2[nH]c3ccc(O)c(-c4c(O)c(C)cc5c4[nH]c4ccc6c(c45)C=CC(C)(C)O6)c3c2cc1C
InChIInChI=1S/C32H28N2O4/c1-15-12-18-22(14-25(15)37-5)33-21-6-8-23(35)28(27(18)21)29-30-19(13-16(2)31(29)36)26-17-10-11-32(3,4)38-24(17)9-7-20(26)34-30/h6-14,33-36H,1-5H3
InChIKeyPLMGKTMPOCPSEV-UHFFFAOYSA-N
MW504.59 g/mol
LogP7.84
Rot. Bonds2

About 8-(3-hydroxy-7-methoxy-6-methyl-9H-carbazol-4-yl)-3,3,10-trimethyl-7H-pyrano[3,2-g]carbazol-9-ol

8-(3-hydroxy-7-methoxy-6-methyl-9H-carbazol-4-yl)-3,3,10-trimethyl-7H-pyrano[3,2-g]carbazol-9-ol (PubChem CID 57409126) has the molecular formula C32H28N2O4 and a molecular weight of 504.59 g/mol. Its IUPAC name is 8-(3-hydroxy-7-methoxy-6-methyl-9H-carbazol-4-yl)-3,3,10-trimethyl-7H-pyrano[3,2-g]carbazol-9-ol.

Molecular Properties

Compound Name8-(3-hydroxy-7-methoxy-6-methyl-9H-carbazol-4-yl)-3,3,10-trimethyl-7H-pyrano[3,2-g]carbazol-9-ol
PubChem CID57409126
Molecular FormulaC32H28N2O4
Molecular Weight504.59 g/mol
Exact Mass504.20
IUPAC Name8-(3-hydroxy-7-methoxy-6-methyl-9H-carbazol-4-yl)-3,3,10-trimethyl-7H-pyrano[3,2-g]carbazol-9-ol
SMILESCOc1cc2[nH]c3ccc(O)c(-c4c(O)c(C)cc5c4[nH]c4ccc6c(c45)C=CC(C)(C)O6)c3c2cc1C
InChIInChI=1S/C32H28N2O4/c1-15-12-18-22(14-25(15)37-5)33-21-6-8-23(35)28(27(18)21)29-30-19(13-16(2)31(29)36)26-17-10-11-32(3,4)38-24(17)9-7-20(26)34-30/h6-14,33-36H,1-5H3
InChIKeyPLMGKTMPOCPSEV-UHFFFAOYSA-N
XLogP7.84
TPSA90.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.59
LogP ≤ 57.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(3-hydroxy-7-methoxy-6-methyl-9H-carbazol-4-yl)-3,3,10-trimethyl-7H-pyrano[3,2-g]carbazol-9-ol?
The IUPAC name of 8-(3-hydroxy-7-methoxy-6-methyl-9H-carbazol-4-yl)-3,3,10-trimethyl-7H-pyrano[3,2-g]carbazol-9-ol (CID 57409126) is 8-(3-hydroxy-7-methoxy-6-methyl-9H-carbazol-4-yl)-3,3,10-trimethyl-7H-pyrano[3,2-g]carbazol-9-ol.
What is the SMILES notation for 8-(3-hydroxy-7-methoxy-6-methyl-9H-carbazol-4-yl)-3,3,10-trimethyl-7H-pyrano[3,2-g]carbazol-9-ol?
The canonical SMILES for 8-(3-hydroxy-7-methoxy-6-methyl-9H-carbazol-4-yl)-3,3,10-trimethyl-7H-pyrano[3,2-g]carbazol-9-ol is COc1cc2[nH]c3ccc(O)c(-c4c(O)c(C)cc5c4[nH]c4ccc6c(c45)C=CC(C)(C)O6)c3c2cc1C.
What is the InChIKey of 8-(3-hydroxy-7-methoxy-6-methyl-9H-carbazol-4-yl)-3,3,10-trimethyl-7H-pyrano[3,2-g]carbazol-9-ol?
The InChIKey is PLMGKTMPOCPSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N2O4/c1-15-12-18-22(14-25(15)37-5)33-21-6-8-23(35)28(27(18)21)29-30-19(13-16(2)31(29)36)26-17-10-11-32(3,4)38-24(17)9-7-20(26)34-30/h6-14,33-36H,1-5H3.
What are the key properties of 8-(3-hydroxy-7-methoxy-6-methyl-9H-carbazol-4-yl)-3,3,10-trimethyl-7H-pyrano[3,2-g]carbazol-9-ol?
8-(3-hydroxy-7-methoxy-6-methyl-9H-carbazol-4-yl)-3,3,10-trimethyl-7H-pyrano[3,2-g]carbazol-9-ol has a molecular weight of 504.59 g/mol, XLogP of 7.84, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-hydroxy-7-methoxy-6-methyl-9H-carbazol-4-yl)-3,3,10-trimethyl-7H-pyrano[3,2-g]carbazol-9-ol is sourced from PubChem (CID 57409126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).