9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]

C52H32N4O — CID 156559689

IUPAC9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cc5c(cc3-4)c3ccccc3n5-c3ccccc3)n2)cc1
InChIInChI=1S/C52H32N4O/c1-4-16-33(17-5-1)49-53-50(34-18-6-2-7-19-34)55-51(54-49)35-28-29-37-39-31-40-38-22-10-13-25-45(38)56(36-20-8-3-9-21-36)46(40)32-44(39)52(43(37)30-35)41-23-11-14-26-47(41)57-48-27-15-12-24-42(48)52/h1-32H
InChIKeyJMPSOSCUIOKVEK-UHFFFAOYSA-N
MW728.86 g/mol
LogP12.44
Rot. Bonds4

About 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]

9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene] (PubChem CID 156559689) has the molecular formula C52H32N4O and a molecular weight of 728.86 g/mol. Its IUPAC name is 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene].

Molecular Properties

Compound Name9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]
PubChem CID156559689
Molecular FormulaC52H32N4O
Molecular Weight728.86 g/mol
Exact Mass728.26
IUPAC Name9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cc5c(cc3-4)c3ccccc3n5-c3ccccc3)n2)cc1
InChIInChI=1S/C52H32N4O/c1-4-16-33(17-5-1)49-53-50(34-18-6-2-7-19-34)55-51(54-49)35-28-29-37-39-31-40-38-22-10-13-25-45(38)56(36-20-8-3-9-21-36)46(40)32-44(39)52(43(37)30-35)41-23-11-14-26-47(41)57-48-27-15-12-24-42(48)52/h1-32H
InChIKeyJMPSOSCUIOKVEK-UHFFFAOYSA-N
XLogP12.44
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.86
LogP ≤ 512.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene] 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

5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 130288850
9-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 139306362
2',5'-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 130288851
2-phenyl-9-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 166650803
5-[3-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 118880607
5-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 130288373
7,7-dimethyl-5-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]indeno[2,1-b]carbazole
CID 139567879
9-phenyl-2-[4-phenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 149374093
20-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenylspiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17(22),18,20-undecaene-16,9'-xanthene]
CID 156559691
9-phenyl-3-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole
CID 177298584
2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;5,9-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 157062931
2'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 90335732

Frequently Asked Questions

What is the IUPAC name of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]?
The IUPAC name of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene] (CID 156559689) is 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene].
What is the SMILES notation for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]?
The canonical SMILES for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene] is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cc5c(cc3-4)c3ccccc3n5-c3ccccc3)n2)cc1.
What is the InChIKey of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]?
The InChIKey is JMPSOSCUIOKVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N4O/c1-4-16-33(17-5-1)49-53-50(34-18-6-2-7-19-34)55-51(54-49)35-28-29-37-39-31-40-38-22-10-13-25-45(38)56(36-20-8-3-9-21-36)46(40)32-44(39)52(43(37)30-35)41-23-11-14-26-47(41)57-48-27-15-12-24-42(48)52/h1-32H.
What are the key properties of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]?
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene] has a molecular weight of 728.86 g/mol, XLogP of 12.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene] is sourced from PubChem (CID 156559689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).