[6-(hydroxymethylidene)-4-(3-phenyl-9H-carbazol-4-yl)cyclohexa-2,4-dien-1-ylidene]methanol

C26H19NO2 — CID 174937752

IUPAC[6-(hydroxymethylidene)-4-(3-phenyl-9H-carbazol-4-yl)cyclohexa-2,4-dien-1-ylidene]methanol
SMILESOC=c1ccc(-c2c(-c3ccccc3)ccc3[nH]c4ccccc4c23)cc1=CO
InChIInChI=1S/C26H19NO2/c28-15-19-11-10-18(14-20(19)16-29)25-21(17-6-2-1-3-7-17)12-13-24-26(25)22-8-4-5-9-23(22)27-24/h1-16,27-29H
InChIKeyXCEMZNYONBJQBT-UHFFFAOYSA-N
MW377.44 g/mol
LogP5.25
Rot. Bonds2

About [6-(hydroxymethylidene)-4-(3-phenyl-9H-carbazol-4-yl)cyclohexa-2,4-dien-1-ylidene]methanol

[6-(hydroxymethylidene)-4-(3-phenyl-9H-carbazol-4-yl)cyclohexa-2,4-dien-1-ylidene]methanol (PubChem CID 174937752) has the molecular formula C26H19NO2 and a molecular weight of 377.44 g/mol. Its IUPAC name is [6-(hydroxymethylidene)-4-(3-phenyl-9H-carbazol-4-yl)cyclohexa-2,4-dien-1-ylidene]methanol.

Molecular Properties

Compound Name[6-(hydroxymethylidene)-4-(3-phenyl-9H-carbazol-4-yl)cyclohexa-2,4-dien-1-ylidene]methanol
PubChem CID174937752
Molecular FormulaC26H19NO2
Molecular Weight377.44 g/mol
Exact Mass377.14
IUPAC Name[6-(hydroxymethylidene)-4-(3-phenyl-9H-carbazol-4-yl)cyclohexa-2,4-dien-1-ylidene]methanol
SMILESOC=c1ccc(-c2c(-c3ccccc3)ccc3[nH]c4ccccc4c23)cc1=CO
InChIInChI=1S/C26H19NO2/c28-15-19-11-10-18(14-20(19)16-29)25-21(17-6-2-1-3-7-17)12-13-24-26(25)22-8-4-5-9-23(22)27-24/h1-16,27-29H
InChIKeyXCEMZNYONBJQBT-UHFFFAOYSA-N
XLogP5.25
TPSA56.25 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.44
LogP ≤ 55.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-naphthalen-1-yl-3,6-diphenyl-9H-carbazole
CID 174595871
4-phenyl-9H-carbazole
CID 22990274
ethane;4-phenyl-9H-carbazole
CID 168948755
N-(10,20-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaen-15-ylidene)hydroxylamine
CID 168933151
3-(6-phenylpyren-1-yl)-9H-carbazole
CID 134424912
8,9-diphenyl-19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaene
CID 171620879
2,3-dichloro-4,5-diphenyl-1H-indole
CID 151613749
4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9H-carbazole
CID 121306346
1,2-dideuterio-3,4-bis(2-phenylphenyl)-9H-carbazole
CID 175875661
2-phenyl-9H-carbazol-1-ol
CID 118682381
4-phenyl-3-propyl-9H-carbazole
CID 21444099
2-(2,5-diphenylphenyl)-9H-carbazole
CID 177269985

Frequently Asked Questions

What is the IUPAC name of [6-(hydroxymethylidene)-4-(3-phenyl-9H-carbazol-4-yl)cyclohexa-2,4-dien-1-ylidene]methanol?
The IUPAC name of [6-(hydroxymethylidene)-4-(3-phenyl-9H-carbazol-4-yl)cyclohexa-2,4-dien-1-ylidene]methanol (CID 174937752) is [6-(hydroxymethylidene)-4-(3-phenyl-9H-carbazol-4-yl)cyclohexa-2,4-dien-1-ylidene]methanol.
What is the SMILES notation for [6-(hydroxymethylidene)-4-(3-phenyl-9H-carbazol-4-yl)cyclohexa-2,4-dien-1-ylidene]methanol?
The canonical SMILES for [6-(hydroxymethylidene)-4-(3-phenyl-9H-carbazol-4-yl)cyclohexa-2,4-dien-1-ylidene]methanol is OC=c1ccc(-c2c(-c3ccccc3)ccc3[nH]c4ccccc4c23)cc1=CO.
What is the InChIKey of [6-(hydroxymethylidene)-4-(3-phenyl-9H-carbazol-4-yl)cyclohexa-2,4-dien-1-ylidene]methanol?
The InChIKey is XCEMZNYONBJQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19NO2/c28-15-19-11-10-18(14-20(19)16-29)25-21(17-6-2-1-3-7-17)12-13-24-26(25)22-8-4-5-9-23(22)27-24/h1-16,27-29H.
What are the key properties of [6-(hydroxymethylidene)-4-(3-phenyl-9H-carbazol-4-yl)cyclohexa-2,4-dien-1-ylidene]methanol?
[6-(hydroxymethylidene)-4-(3-phenyl-9H-carbazol-4-yl)cyclohexa-2,4-dien-1-ylidene]methanol has a molecular weight of 377.44 g/mol, XLogP of 5.25, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(hydroxymethylidene)-4-(3-phenyl-9H-carbazol-4-yl)cyclohexa-2,4-dien-1-ylidene]methanol is sourced from PubChem (CID 174937752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).