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

C45H31N5 — CID 156578069

IUPAC9-[9,9-dimethyl-8-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)fluoren-2-yl]pyrido[2,3-b]indole
SMILESCC1(C)c2cc(-n3c4ccccc4c4cccnc43)ccc2-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5ccccc45)n3)c21
InChIInChI=1S/C45H31N5/c1-45(2)38-27-30(50-39-23-9-8-18-33(39)36-22-12-26-46-44(36)50)24-25-32(38)34-19-11-21-37(40(34)45)43-48-41(29-14-4-3-5-15-29)47-42(49-43)35-20-10-16-28-13-6-7-17-31(28)35/h3-27H,1-2H3
InChIKeyWDFLDABFPCGJBI-UHFFFAOYSA-N
MW641.78 g/mol
LogP10.82
Rot. Bonds4

About 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

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 (PubChem CID 156578069) has the molecular formula C45H31N5 and a molecular weight of 641.78 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[9,9-dimethyl-8-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)fluoren-2-yl]pyrido[2,3-b]indole
PubChem CID156578069
Molecular FormulaC45H31N5
Molecular Weight641.78 g/mol
Exact Mass641.26
IUPAC Name9-[9,9-dimethyl-8-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)fluoren-2-yl]pyrido[2,3-b]indole
SMILESCC1(C)c2cc(-n3c4ccccc4c4cccnc43)ccc2-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5ccccc45)n3)c21
InChIInChI=1S/C45H31N5/c1-45(2)38-27-30(50-39-23-9-8-18-33(39)36-22-12-26-46-44(36)50)24-25-32(38)34-19-11-21-37(40(34)45)43-48-41(29-14-4-3-5-15-29)47-42(49-43)35-20-10-16-28-13-6-7-17-31(28)35/h3-27H,1-2H3
InChIKeyWDFLDABFPCGJBI-UHFFFAOYSA-N
XLogP10.82
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.78
LogP ≤ 510.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
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
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-[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
9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-2-ylcarbazol-2-yl]pyrido[2,3-b]indole
CID 156577735
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
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-8,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 139524704
9-[7-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole
CID 169276047
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole
CID 129221371
9-[8-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-1-yl]pyrido[2,3-b]indole
CID 169276060
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 58059187
9-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 166889355

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2cc(-n3c4ccccc4c4cccnc43)ccc2-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5ccccc45)n3)c21.
What is the InChIKey of 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?
The InChIKey is WDFLDABFPCGJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31N5/c1-45(2)38-27-30(50-39-23-9-8-18-33(39)36-22-12-26-46-44(36)50)24-25-32(38)34-19-11-21-37(40(34)45)43-48-41(29-14-4-3-5-15-29)47-42(49-43)35-20-10-16-28-13-6-7-17-31(28)35/h3-27H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 641.78 g/mol, XLogP of 10.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 156578069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).