9-(4-phenyl-6-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-yl-1,3,5-triazin-2-yl)carbazole

C50H30N4 — CID 163876379

IUPAC9-(4-phenyl-6-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-yl-1,3,5-triazin-2-yl)carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4cc5ccccc5cc43)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C50H30N4/c1-2-14-31(15-3-1)47-51-48(53-49(52-47)54-45-24-12-8-20-38(45)39-21-9-13-25-46(39)54)34-26-27-37-35-18-6-10-22-41(35)50(43(37)30-34)42-23-11-7-19-36(42)40-28-32-16-4-5-17-33(32)29-44(40)50/h1-30H
InChIKeyPPFSRICFRYYRML-UHFFFAOYSA-N
MW686.82 g/mol
LogP11.80
Rot. Bonds3

About 9-(4-phenyl-6-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-yl-1,3,5-triazin-2-yl)carbazole

9-(4-phenyl-6-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-yl-1,3,5-triazin-2-yl)carbazole (PubChem CID 163876379) has the molecular formula C50H30N4 and a molecular weight of 686.82 g/mol. Its IUPAC name is 9-(4-phenyl-6-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-yl-1,3,5-triazin-2-yl)carbazole.

Molecular Properties

Compound Name9-(4-phenyl-6-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-yl-1,3,5-triazin-2-yl)carbazole
PubChem CID163876379
Molecular FormulaC50H30N4
Molecular Weight686.82 g/mol
Exact Mass686.25
IUPAC Name9-(4-phenyl-6-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-yl-1,3,5-triazin-2-yl)carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4cc5ccccc5cc43)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C50H30N4/c1-2-14-31(15-3-1)47-51-48(53-49(52-47)54-45-24-12-8-20-38(45)39-21-9-13-25-46(39)54)34-26-27-37-35-18-6-10-22-41(35)50(43(37)30-34)42-23-11-7-19-36(42)40-28-32-16-4-5-17-33(32)29-44(40)50/h1-30H
InChIKeyPPFSRICFRYYRML-UHFFFAOYSA-N
XLogP11.80
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.82
LogP ≤ 511.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-(4-phenyl-6-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-yl-1,3,5-triazin-2-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

9-[4-(2'-carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]carbazole
CID 88886986
9-(4-phenyl-6-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene]-19'-yl-1,3,5-triazin-2-yl)carbazole
CID 122413287
9-[4-carbazol-9-yl-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742543
5'-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 162362854
12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 88886982
12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7'-(11-phenylindolo[2,3-a]carbazol-12-yl)-9,9'-spirobi[fluorene]-2'-yl]-11-phenylindolo[2,3-a]carbazole
CID 88886983
9-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 139306362
12-[4-(2'-carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole
CID 88887018
9-phenyl-2-[4-phenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 149374093
9-[2-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2'-yl]carbazole
CID 88887022
11,11-bis(4-carbazol-9-ylphenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indeno[1,2-b]carbazole
CID 87413796
2-phenyl-1-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]benzimidazole
CID 118688255

Frequently Asked Questions

What is the IUPAC name of 9-(4-phenyl-6-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-yl-1,3,5-triazin-2-yl)carbazole?
The IUPAC name of 9-(4-phenyl-6-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-yl-1,3,5-triazin-2-yl)carbazole (CID 163876379) is 9-(4-phenyl-6-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-yl-1,3,5-triazin-2-yl)carbazole.
What is the SMILES notation for 9-(4-phenyl-6-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-yl-1,3,5-triazin-2-yl)carbazole?
The canonical SMILES for 9-(4-phenyl-6-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-yl-1,3,5-triazin-2-yl)carbazole is c1ccc(-c2nc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4cc5ccccc5cc43)nc(-n3c4ccccc4c4ccccc43)n2)cc1.
What is the InChIKey of 9-(4-phenyl-6-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-yl-1,3,5-triazin-2-yl)carbazole?
The InChIKey is PPFSRICFRYYRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4/c1-2-14-31(15-3-1)47-51-48(53-49(52-47)54-45-24-12-8-20-38(45)39-21-9-13-25-46(39)54)34-26-27-37-35-18-6-10-22-41(35)50(43(37)30-34)42-23-11-7-19-36(42)40-28-32-16-4-5-17-33(32)29-44(40)50/h1-30H.
What are the key properties of 9-(4-phenyl-6-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-yl-1,3,5-triazin-2-yl)carbazole?
9-(4-phenyl-6-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-yl-1,3,5-triazin-2-yl)carbazole has a molecular weight of 686.82 g/mol, XLogP of 11.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-phenyl-6-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-yl-1,3,5-triazin-2-yl)carbazole is sourced from PubChem (CID 163876379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).