[1-methoxy-9-[(1-methoxy-9H-carbazol-3-yl)methyl]carbazol-3-yl]methanol

C28H24N2O3 — CID 23245461

IUPAC[1-methoxy-9-[(1-methoxy-9H-carbazol-3-yl)methyl]carbazol-3-yl]methanol
SMILESCOc1cc(Cn2c3ccccc3c3cc(CO)cc(OC)c32)cc2c1[nH]c1ccccc12
InChIInChI=1S/C28H24N2O3/c1-32-25-13-17(11-21-19-7-3-5-9-23(19)29-27(21)25)15-30-24-10-6-4-8-20(24)22-12-18(16-31)14-26(33-2)28(22)30/h3-14,29,31H,15-16H2,1-2H3
InChIKeyORBVDSSXNGYTRX-UHFFFAOYSA-N
MW436.51 g/mol
LogP5.99
Rot. Bonds5

About [1-methoxy-9-[(1-methoxy-9H-carbazol-3-yl)methyl]carbazol-3-yl]methanol

[1-methoxy-9-[(1-methoxy-9H-carbazol-3-yl)methyl]carbazol-3-yl]methanol (PubChem CID 23245461) has the molecular formula C28H24N2O3 and a molecular weight of 436.51 g/mol. Its IUPAC name is [1-methoxy-9-[(1-methoxy-9H-carbazol-3-yl)methyl]carbazol-3-yl]methanol.

Molecular Properties

Compound Name[1-methoxy-9-[(1-methoxy-9H-carbazol-3-yl)methyl]carbazol-3-yl]methanol
PubChem CID23245461
Molecular FormulaC28H24N2O3
Molecular Weight436.51 g/mol
Exact Mass436.18
IUPAC Name[1-methoxy-9-[(1-methoxy-9H-carbazol-3-yl)methyl]carbazol-3-yl]methanol
SMILESCOc1cc(Cn2c3ccccc3c3cc(CO)cc(OC)c32)cc2c1[nH]c1ccccc12
InChIInChI=1S/C28H24N2O3/c1-32-25-13-17(11-21-19-7-3-5-9-23(19)29-27(21)25)15-30-24-10-6-4-8-20(24)22-12-18(16-31)14-26(33-2)28(22)30/h3-14,29,31H,15-16H2,1-2H3
InChIKeyORBVDSSXNGYTRX-UHFFFAOYSA-N
XLogP5.99
TPSA59.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.51
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-methoxy-9-[(1-methoxy-9H-carbazol-3-yl)methyl]carbazol-3-yl]methanol?
The IUPAC name of [1-methoxy-9-[(1-methoxy-9H-carbazol-3-yl)methyl]carbazol-3-yl]methanol (CID 23245461) is [1-methoxy-9-[(1-methoxy-9H-carbazol-3-yl)methyl]carbazol-3-yl]methanol.
What is the SMILES notation for [1-methoxy-9-[(1-methoxy-9H-carbazol-3-yl)methyl]carbazol-3-yl]methanol?
The canonical SMILES for [1-methoxy-9-[(1-methoxy-9H-carbazol-3-yl)methyl]carbazol-3-yl]methanol is COc1cc(Cn2c3ccccc3c3cc(CO)cc(OC)c32)cc2c1[nH]c1ccccc12.
What is the InChIKey of [1-methoxy-9-[(1-methoxy-9H-carbazol-3-yl)methyl]carbazol-3-yl]methanol?
The InChIKey is ORBVDSSXNGYTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O3/c1-32-25-13-17(11-21-19-7-3-5-9-23(19)29-27(21)25)15-30-24-10-6-4-8-20(24)22-12-18(16-31)14-26(33-2)28(22)30/h3-14,29,31H,15-16H2,1-2H3.
What are the key properties of [1-methoxy-9-[(1-methoxy-9H-carbazol-3-yl)methyl]carbazol-3-yl]methanol?
[1-methoxy-9-[(1-methoxy-9H-carbazol-3-yl)methyl]carbazol-3-yl]methanol has a molecular weight of 436.51 g/mol, XLogP of 5.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methoxy-9-[(1-methoxy-9H-carbazol-3-yl)methyl]carbazol-3-yl]methanol is sourced from PubChem (CID 23245461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).