9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylxanthen-4-yl]carbazole

C42H30N4O — CID 135225902

IUPAC9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylxanthen-4-yl]carbazole
SMILESCC1(C)c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2Oc2c(-n3c4ccccc4c4ccccc43)cccc21
InChIInChI=1S/C42H30N4O/c1-42(2)32-22-13-21-31(41-44-39(27-15-5-3-6-16-27)43-40(45-41)28-17-7-4-8-18-28)37(32)47-38-33(42)23-14-26-36(38)46-34-24-11-9-19-29(34)30-20-10-12-25-35(30)46/h3-26H,1-2H3
InChIKeyVXKCRVSVYUKPQD-UHFFFAOYSA-N
MW606.73 g/mol
LogP10.40
Rot. Bonds4

About 9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylxanthen-4-yl]carbazole

9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylxanthen-4-yl]carbazole (PubChem CID 135225902) has the molecular formula C42H30N4O and a molecular weight of 606.73 g/mol. Its IUPAC name is 9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylxanthen-4-yl]carbazole.

Molecular Properties

Compound Name9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylxanthen-4-yl]carbazole
PubChem CID135225902
Molecular FormulaC42H30N4O
Molecular Weight606.73 g/mol
Exact Mass606.24
IUPAC Name9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylxanthen-4-yl]carbazole
SMILESCC1(C)c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2Oc2c(-n3c4ccccc4c4ccccc43)cccc21
InChIInChI=1S/C42H30N4O/c1-42(2)32-22-13-21-31(41-44-39(27-15-5-3-6-16-27)43-40(45-41)28-17-7-4-8-18-28)37(32)47-38-33(42)23-14-26-36(38)46-34-24-11-9-19-29(34)30-20-10-12-25-35(30)46/h3-26H,1-2H3
InChIKeyVXKCRVSVYUKPQD-UHFFFAOYSA-N
XLogP10.40
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.73
LogP ≤ 510.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylxanthen-4-yl]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4,6-Diphenoxy-1,3,5-triazin-2-yl)-9-phenyl-9h-carbazole
CID 102308208
12-[3-(4,6-Diphenyl-1,3,5-triazin-2-yl)-5-(trifluoromethyl)phenyl]-[1,4]benzodioxino[2,3-a]carbazole
CID 118441944
4-[4,6-Bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-9-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole
CID 139306916
3-[(2E)-2-[(Z)-but-2-enylidene]-3-[(4,6-diphenyl-1,3,5-triazin-2-yl)methylidene]-1-benzofuran-5-yl]-9-[4-(trifluoromethyl)phenyl]carbazole
CID 144955821
1-(4-Fluorophenyl)-9,9-dimethyl-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]xanthen-4-amine
CID 146406097
11-[9-[3-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-methyl-17-(trifluoromethyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
CID 146947275
11-[9-(4,6-Diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,17-bis(trifluoromethyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 147159013
11-[9-[3-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5,17-bis(trifluoromethyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 153510888
16-[4,6-Bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]-5,10-difluoro-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene
CID 162693843
10-[4-[9-[4,6-Bis(4-fluorophenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]phenyl]phenoxazine
CID 163489087
9-[3-[4-[4-[3-Fluoro-4-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 168802877
10-[4-[3-[4-(Trifluoromethyl)phenyl]phenanthro[9,10-d]imidazol-2-yl]phenyl]phenoxazine
CID 169582236

Frequently Asked Questions

What is the IUPAC name of 9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylxanthen-4-yl]carbazole?
The IUPAC name of 9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylxanthen-4-yl]carbazole (CID 135225902) is 9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylxanthen-4-yl]carbazole.
What is the SMILES notation for 9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylxanthen-4-yl]carbazole?
The canonical SMILES for 9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylxanthen-4-yl]carbazole is CC1(C)c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2Oc2c(-n3c4ccccc4c4ccccc43)cccc21.
What is the InChIKey of 9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylxanthen-4-yl]carbazole?
The InChIKey is VXKCRVSVYUKPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30N4O/c1-42(2)32-22-13-21-31(41-44-39(27-15-5-3-6-16-27)43-40(45-41)28-17-7-4-8-18-28)37(32)47-38-33(42)23-14-26-36(38)46-34-24-11-9-19-29(34)30-20-10-12-25-35(30)46/h3-26H,1-2H3.
What are the key properties of 9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylxanthen-4-yl]carbazole?
9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylxanthen-4-yl]carbazole has a molecular weight of 606.73 g/mol, XLogP of 10.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylxanthen-4-yl]carbazole is sourced from PubChem (CID 135225902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).