2-(2-hydroxycarbazol-9-yl)-4-[(1,3,3-trimethylindol-2-ylidene)methyl]cyclobutane-1,3-diol

C28H28N2O3 — CID 59061553

IUPAC2-(2-hydroxycarbazol-9-yl)-4-[(1,3,3-trimethylindol-2-ylidene)methyl]cyclobutane-1,3-diol
SMILESCN1C(=CC2C(O)C(n3c4ccccc4c4ccc(O)cc43)C2O)C(C)(C)c2ccccc21
InChIInChI=1S/C28H28N2O3/c1-28(2)20-9-5-7-11-22(20)29(3)24(28)15-19-26(32)25(27(19)33)30-21-10-6-4-8-17(21)18-13-12-16(31)14-23(18)30/h4-15,19,25-27,31-33H,1-3H3
InChIKeyFQAHJLGALBDPAN-UHFFFAOYSA-N
MW440.54 g/mol
LogP4.70
Rot. Bonds2

About 2-(2-hydroxycarbazol-9-yl)-4-[(1,3,3-trimethylindol-2-ylidene)methyl]cyclobutane-1,3-diol

2-(2-hydroxycarbazol-9-yl)-4-[(1,3,3-trimethylindol-2-ylidene)methyl]cyclobutane-1,3-diol (PubChem CID 59061553) has the molecular formula C28H28N2O3 and a molecular weight of 440.54 g/mol. Its IUPAC name is 2-(2-hydroxycarbazol-9-yl)-4-[(1,3,3-trimethylindol-2-ylidene)methyl]cyclobutane-1,3-diol.

Molecular Properties

Compound Name2-(2-hydroxycarbazol-9-yl)-4-[(1,3,3-trimethylindol-2-ylidene)methyl]cyclobutane-1,3-diol
PubChem CID59061553
Molecular FormulaC28H28N2O3
Molecular Weight440.54 g/mol
Exact Mass440.21
IUPAC Name2-(2-hydroxycarbazol-9-yl)-4-[(1,3,3-trimethylindol-2-ylidene)methyl]cyclobutane-1,3-diol
SMILESCN1C(=CC2C(O)C(n3c4ccccc4c4ccc(O)cc43)C2O)C(C)(C)c2ccccc21
InChIInChI=1S/C28H28N2O3/c1-28(2)20-9-5-7-11-22(20)29(3)24(28)15-19-26(32)25(27(19)33)30-21-10-6-4-8-17(21)18-13-12-16(31)14-23(18)30/h4-15,19,25-27,31-33H,1-3H3
InChIKeyFQAHJLGALBDPAN-UHFFFAOYSA-N
XLogP4.70
TPSA68.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-bis[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]cyclobutane-1,3-diolate
CID 15508580
2-(1,2,3,4,4a,9a-hexahydrocarbazol-9-yl)-4-[(1,3,3-trimethylindol-2-ylidene)methyl]cyclobutane-1,3-diol
CID 59061578
2-[(2,6-ditert-butylthiopyran-4-ylidene)methyl]-4-[(1,3,3-trimethylindol-2-ylidene)methyl]cyclobutane-1,3-diol
CID 59806347
(2Z)-1,3,3-trimethyl-2-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]indole
CID 18806794
N-(4-hydroxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanethioamide
CID 23735552
(3Z)-1-(2-methylpyridin-1-ium-1-yl)-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one chloride
CID 15945178
2-[5-[5-[4-(dimethylamino)phenyl]thiophen-2-yl]thiophen-2-yl]-3-hydroxy-4-[(1,3,3-trimethylindol-2-ylidene)methyl]cyclobutan-1-olate
CID 146883976
2-[3-oxo-2,4-bis[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]cyclobutylidene]propanedinitrile
CID 139242461
14,14,21-trimethyl-10-phenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 146580601
9,9,10-trimethylacridine
CID 610451
1,3,3-trimethyl-2-(nitrosomethylidene)indole
CID 4625557
diphenyl-[(2E,5E)-5-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-2-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclopentylidene]azanium
CID 76844547

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxycarbazol-9-yl)-4-[(1,3,3-trimethylindol-2-ylidene)methyl]cyclobutane-1,3-diol?
The IUPAC name of 2-(2-hydroxycarbazol-9-yl)-4-[(1,3,3-trimethylindol-2-ylidene)methyl]cyclobutane-1,3-diol (CID 59061553) is 2-(2-hydroxycarbazol-9-yl)-4-[(1,3,3-trimethylindol-2-ylidene)methyl]cyclobutane-1,3-diol.
What is the SMILES notation for 2-(2-hydroxycarbazol-9-yl)-4-[(1,3,3-trimethylindol-2-ylidene)methyl]cyclobutane-1,3-diol?
The canonical SMILES for 2-(2-hydroxycarbazol-9-yl)-4-[(1,3,3-trimethylindol-2-ylidene)methyl]cyclobutane-1,3-diol is CN1C(=CC2C(O)C(n3c4ccccc4c4ccc(O)cc43)C2O)C(C)(C)c2ccccc21.
What is the InChIKey of 2-(2-hydroxycarbazol-9-yl)-4-[(1,3,3-trimethylindol-2-ylidene)methyl]cyclobutane-1,3-diol?
The InChIKey is FQAHJLGALBDPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O3/c1-28(2)20-9-5-7-11-22(20)29(3)24(28)15-19-26(32)25(27(19)33)30-21-10-6-4-8-17(21)18-13-12-16(31)14-23(18)30/h4-15,19,25-27,31-33H,1-3H3.
What are the key properties of 2-(2-hydroxycarbazol-9-yl)-4-[(1,3,3-trimethylindol-2-ylidene)methyl]cyclobutane-1,3-diol?
2-(2-hydroxycarbazol-9-yl)-4-[(1,3,3-trimethylindol-2-ylidene)methyl]cyclobutane-1,3-diol has a molecular weight of 440.54 g/mol, XLogP of 4.70, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxycarbazol-9-yl)-4-[(1,3,3-trimethylindol-2-ylidene)methyl]cyclobutane-1,3-diol is sourced from PubChem (CID 59061553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).