8-(9,9-dimethylfluoren-3-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylpyrido[4,3-b]indole

C53H37N5 — CID 145327412

IUPAC8-(9,9-dimethylfluoren-3-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylpyrido[4,3-b]indole
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)c3cncc(-c5ccccc5)c3n4-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)ccc21
InChIInChI=1S/C53H37N5/c1-53(2)46-24-13-12-23-41(46)42-30-37(25-27-47(42)53)38-26-28-48-43(31-38)45-33-54-32-44(34-15-6-3-7-16-34)49(45)58(48)40-22-14-21-39(29-40)52-56-50(35-17-8-4-9-18-35)55-51(57-52)36-19-10-5-11-20-36/h3-33H,1-2H3
InChIKeyNZXCIWDJCSRNRF-UHFFFAOYSA-N
MW743.91 g/mol
LogP13.01
Rot. Bonds6

About 8-(9,9-dimethylfluoren-3-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylpyrido[4,3-b]indole

8-(9,9-dimethylfluoren-3-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylpyrido[4,3-b]indole (PubChem CID 145327412) has the molecular formula C53H37N5 and a molecular weight of 743.91 g/mol. Its IUPAC name is 8-(9,9-dimethylfluoren-3-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylpyrido[4,3-b]indole.

Molecular Properties

Compound Name8-(9,9-dimethylfluoren-3-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylpyrido[4,3-b]indole
PubChem CID145327412
Molecular FormulaC53H37N5
Molecular Weight743.91 g/mol
Exact Mass743.30
IUPAC Name8-(9,9-dimethylfluoren-3-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylpyrido[4,3-b]indole
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)c3cncc(-c5ccccc5)c3n4-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)ccc21
InChIInChI=1S/C53H37N5/c1-53(2)46-24-13-12-23-41(46)42-30-37(25-27-47(42)53)38-26-28-48-43(31-38)45-33-54-32-44(34-15-6-3-7-16-34)49(45)58(48)40-22-14-21-39(29-40)52-56-50(35-17-8-4-9-18-35)55-51(57-52)36-19-10-5-11-20-36/h3-33H,1-2H3
InChIKeyNZXCIWDJCSRNRF-UHFFFAOYSA-N
XLogP13.01
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.91
LogP ≤ 513.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(9,9-dimethylfluoren-3-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 145327523
12-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-[3-(2-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 165165441
3-(9,9-dimethylfluoren-2-yl)-9-phenyl-6-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 145327687
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 159306197
3-(9,9-dimethylfluoren-2-yl)-9-[3-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-(2,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 134236850
9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-[3-(9,9-dimethylfluoren-3-yl)phenyl]carbazole
CID 142568449
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 87159836
9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-[3-(9,9-dimethylfluoren-3-yl)phenyl]-3-phenylcarbazole;ethane
CID 142569133
11-(9,9-dimethylfluoren-2-yl)-12-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 121385363
9-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]carbazole
CID 160549549
7,7-dimethyl-5-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indeno[2,1-b]carbazole;ethane
CID 142377951
3-(9,9-dimethylfluoren-2-yl)-9-[3-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 134236852

Frequently Asked Questions

What is the IUPAC name of 8-(9,9-dimethylfluoren-3-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylpyrido[4,3-b]indole?
The IUPAC name of 8-(9,9-dimethylfluoren-3-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylpyrido[4,3-b]indole (CID 145327412) is 8-(9,9-dimethylfluoren-3-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylpyrido[4,3-b]indole.
What is the SMILES notation for 8-(9,9-dimethylfluoren-3-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylpyrido[4,3-b]indole?
The canonical SMILES for 8-(9,9-dimethylfluoren-3-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylpyrido[4,3-b]indole is CC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)c3cncc(-c5ccccc5)c3n4-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)ccc21.
What is the InChIKey of 8-(9,9-dimethylfluoren-3-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylpyrido[4,3-b]indole?
The InChIKey is NZXCIWDJCSRNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37N5/c1-53(2)46-24-13-12-23-41(46)42-30-37(25-27-47(42)53)38-26-28-48-43(31-38)45-33-54-32-44(34-15-6-3-7-16-34)49(45)58(48)40-22-14-21-39(29-40)52-56-50(35-17-8-4-9-18-35)55-51(57-52)36-19-10-5-11-20-36/h3-33H,1-2H3.
What are the key properties of 8-(9,9-dimethylfluoren-3-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylpyrido[4,3-b]indole?
8-(9,9-dimethylfluoren-3-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylpyrido[4,3-b]indole has a molecular weight of 743.91 g/mol, XLogP of 13.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(9,9-dimethylfluoren-3-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylpyrido[4,3-b]indole is sourced from PubChem (CID 145327412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).