[3,6-di(carbazol-9-yl)carbazol-9-yl]methanol

C37H25N3O — CID 58388460

IUPAC[3,6-di(carbazol-9-yl)carbazol-9-yl]methanol
SMILESOCn1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2cc(-n3c4ccccc4c4ccccc43)ccc21
InChIInChI=1S/C37H25N3O/c41-23-38-32-19-17-24(39-34-13-5-1-9-26(34)27-10-2-6-14-35(27)39)21-30(32)31-22-25(18-20-33(31)38)40-36-15-7-3-11-28(36)29-12-4-8-16-37(29)40/h1-22,41H,23H2
InChIKeyCVDHWGBHVZOODB-UHFFFAOYSA-N
MW527.63 g/mol
LogP8.94
Rot. Bonds3

About [3,6-di(carbazol-9-yl)carbazol-9-yl]methanol

[3,6-di(carbazol-9-yl)carbazol-9-yl]methanol (PubChem CID 58388460) has the molecular formula C37H25N3O and a molecular weight of 527.63 g/mol. Its IUPAC name is [3,6-di(carbazol-9-yl)carbazol-9-yl]methanol.

Molecular Properties

Compound Name[3,6-di(carbazol-9-yl)carbazol-9-yl]methanol
PubChem CID58388460
Molecular FormulaC37H25N3O
Molecular Weight527.63 g/mol
Exact Mass527.20
IUPAC Name[3,6-di(carbazol-9-yl)carbazol-9-yl]methanol
SMILESOCn1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2cc(-n3c4ccccc4c4ccccc43)ccc21
InChIInChI=1S/C37H25N3O/c41-23-38-32-19-17-24(39-34-13-5-1-9-26(34)27-10-2-6-14-35(27)39)21-30(32)31-22-25(18-20-33(31)38)40-36-15-7-3-11-28(36)29-12-4-8-16-37(29)40/h1-22,41H,23H2
InChIKeyCVDHWGBHVZOODB-UHFFFAOYSA-N
XLogP8.94
TPSA35.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.63
LogP ≤ 58.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3,6-di(carbazol-9-yl)carbazol-9-yl]methanol?
The IUPAC name of [3,6-di(carbazol-9-yl)carbazol-9-yl]methanol (CID 58388460) is [3,6-di(carbazol-9-yl)carbazol-9-yl]methanol.
What is the SMILES notation for [3,6-di(carbazol-9-yl)carbazol-9-yl]methanol?
The canonical SMILES for [3,6-di(carbazol-9-yl)carbazol-9-yl]methanol is OCn1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.
What is the InChIKey of [3,6-di(carbazol-9-yl)carbazol-9-yl]methanol?
The InChIKey is CVDHWGBHVZOODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25N3O/c41-23-38-32-19-17-24(39-34-13-5-1-9-26(34)27-10-2-6-14-35(27)39)21-30(32)31-22-25(18-20-33(31)38)40-36-15-7-3-11-28(36)29-12-4-8-16-37(29)40/h1-22,41H,23H2.
What are the key properties of [3,6-di(carbazol-9-yl)carbazol-9-yl]methanol?
[3,6-di(carbazol-9-yl)carbazol-9-yl]methanol has a molecular weight of 527.63 g/mol, XLogP of 8.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,6-di(carbazol-9-yl)carbazol-9-yl]methanol is sourced from PubChem (CID 58388460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).