9-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]pyrido[2,3-b]indole

C47H31N5O — CID 156578035

IUPAC9-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]pyrido[2,3-b]indole
SMILESCC1(C)c2cc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4ccccc45)n3)ccc2-c2ccc(-n3c4ccccc4c4cccnc43)cc21
InChIInChI=1S/C47H31N5O/c1-47(2)38-25-29(18-21-32(38)33-23-20-31(27-39(33)47)52-40-16-8-6-13-34(40)37-15-10-24-48-46(37)52)44-49-43(28-11-4-3-5-12-28)50-45(51-44)30-19-22-36-35-14-7-9-17-41(35)53-42(36)26-30/h3-27H,1-2H3
InChIKeyVMVAUWYRMHNVGH-UHFFFAOYSA-N
MW681.80 g/mol
LogP11.57
Rot. Bonds4

About 9-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]pyrido[2,3-b]indole

9-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]pyrido[2,3-b]indole (PubChem CID 156578035) has the molecular formula C47H31N5O and a molecular weight of 681.80 g/mol. Its IUPAC name is 9-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]pyrido[2,3-b]indole.

Molecular Properties

Compound Name9-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]pyrido[2,3-b]indole
PubChem CID156578035
Molecular FormulaC47H31N5O
Molecular Weight681.80 g/mol
Exact Mass681.25
IUPAC Name9-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]pyrido[2,3-b]indole
SMILESCC1(C)c2cc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4ccccc45)n3)ccc2-c2ccc(-n3c4ccccc4c4cccnc43)cc21
InChIInChI=1S/C47H31N5O/c1-47(2)38-25-29(18-21-32(38)33-23-20-31(27-39(33)47)52-40-16-8-6-13-34(40)37-15-10-24-48-46(37)52)44-49-43(28-11-4-3-5-12-28)50-45(51-44)30-19-22-36-35-14-7-9-17-41(35)53-42(36)26-30/h3-27H,1-2H3
InChIKeyVMVAUWYRMHNVGH-UHFFFAOYSA-N
XLogP11.57
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.80
LogP ≤ 511.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]pyrido[2,3-b]indole 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-[7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-3-yl]pyrido[2,3-b]indole
CID 156578056
9-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole
CID 156577807
9-[7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]pyrido[2,3-b]indole
CID 169276097
3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-(7-phenyldibenzofuran-3-yl)carbazole
CID 170080771
9-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole
CID 169276091
9-[6-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]pyrido[2,3-b]indole
CID 169276085
9-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]pyrido[2,3-b]indole
CID 156578051
9-[6-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]pyrido[2,3-b]indole
CID 156577869
7-[7-[2,6-bis[7-([1]benzofuro[2,3-b]carbazol-7-yl)-9,9-dimethylfluoren-2-yl]pyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]-[1]benzofuro[2,3-b]carbazole
CID 126631014
9-[9,9-dimethyl-8-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)fluoren-2-yl]pyrido[2,3-b]indole
CID 156578069
6-carbazol-9-yl-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]carbazole
CID 142569574
9-[8-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]pyrido[2,3-b]indole
CID 169276082

Frequently Asked Questions

What is the IUPAC name of 9-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]pyrido[2,3-b]indole?
The IUPAC name of 9-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]pyrido[2,3-b]indole (CID 156578035) is 9-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]pyrido[2,3-b]indole.
What is the SMILES notation for 9-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]pyrido[2,3-b]indole?
The canonical SMILES for 9-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]pyrido[2,3-b]indole is CC1(C)c2cc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4ccccc45)n3)ccc2-c2ccc(-n3c4ccccc4c4cccnc43)cc21.
What is the InChIKey of 9-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]pyrido[2,3-b]indole?
The InChIKey is VMVAUWYRMHNVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N5O/c1-47(2)38-25-29(18-21-32(38)33-23-20-31(27-39(33)47)52-40-16-8-6-13-34(40)37-15-10-24-48-46(37)52)44-49-43(28-11-4-3-5-12-28)50-45(51-44)30-19-22-36-35-14-7-9-17-41(35)53-42(36)26-30/h3-27H,1-2H3.
What are the key properties of 9-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]pyrido[2,3-b]indole?
9-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]pyrido[2,3-b]indole has a molecular weight of 681.80 g/mol, XLogP of 11.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]pyrido[2,3-b]indole is sourced from PubChem (CID 156578035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).