9-[2-[4-(9,9-dimethylfluoren-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole

C54H38N4 — CID 171724613

IUPAC9-[2-[4-(9,9-dimethylfluoren-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
SMILESCC1(C)c2ccccc2-c2cc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccccc5)cc4-n4c5ccccc5c5ccccc54)n3)ccc21
InChIInChI=1S/C54H38N4/c1-54(2)46-22-12-9-19-41(46)45-33-40(30-32-47(45)54)52-55-51(38-27-25-37(26-28-38)35-15-5-3-6-16-35)56-53(57-52)44-31-29-39(36-17-7-4-8-18-36)34-50(44)58-48-23-13-10-20-42(48)43-21-11-14-24-49(43)58/h3-34H,1-2H3
InChIKeyBJQRDVUANZVSIO-UHFFFAOYSA-N
MW742.93 g/mol
LogP13.61
Rot. Bonds6

About 9-[2-[4-(9,9-dimethylfluoren-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole

9-[2-[4-(9,9-dimethylfluoren-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole (PubChem CID 171724613) has the molecular formula C54H38N4 and a molecular weight of 742.93 g/mol. Its IUPAC name is 9-[2-[4-(9,9-dimethylfluoren-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole.

Molecular Properties

Compound Name9-[2-[4-(9,9-dimethylfluoren-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
PubChem CID171724613
Molecular FormulaC54H38N4
Molecular Weight742.93 g/mol
Exact Mass742.31
IUPAC Name9-[2-[4-(9,9-dimethylfluoren-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
SMILESCC1(C)c2ccccc2-c2cc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccccc5)cc4-n4c5ccccc5c5ccccc54)n3)ccc21
InChIInChI=1S/C54H38N4/c1-54(2)46-22-12-9-19-41(46)45-33-40(30-32-47(45)54)52-55-51(38-27-25-37(26-28-38)35-15-5-3-6-16-35)56-53(57-52)44-31-29-39(36-17-7-4-8-18-36)34-50(44)58-48-23-13-10-20-42(48)43-21-11-14-24-49(43)58/h3-34H,1-2H3
InChIKeyBJQRDVUANZVSIO-UHFFFAOYSA-N
XLogP13.61
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.93
LogP ≤ 513.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 126592339
9-[5-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]-3-phenylcarbazole
CID 177287146
5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylphenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 146535436
5-[2-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 169014487
5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-naphthalen-1-ylphenyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 126592268
9-[2-[4-(9,9-dimethylfluoren-4-yl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 176851473
9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenylcarbazole
CID 158012983
9-[2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 170244460
1,2,3,4,5,6,7,8-octadeuterio-9-[5-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
CID 171724617
3-(9,9-dimethylfluoren-3-yl)-9-[4-[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]-6-[4-[4-[4-[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 126632340
6-(9,9-dimethylfluoren-3-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-1-ylcarbazole
CID 145327658
9-[2-[4-[3-carbazol-9-yl-4-[3-(3-phenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 139303113

Frequently Asked Questions

What is the IUPAC name of 9-[2-[4-(9,9-dimethylfluoren-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole?
The IUPAC name of 9-[2-[4-(9,9-dimethylfluoren-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole (CID 171724613) is 9-[2-[4-(9,9-dimethylfluoren-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole.
What is the SMILES notation for 9-[2-[4-(9,9-dimethylfluoren-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole?
The canonical SMILES for 9-[2-[4-(9,9-dimethylfluoren-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole is CC1(C)c2ccccc2-c2cc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccccc5)cc4-n4c5ccccc5c5ccccc54)n3)ccc21.
What is the InChIKey of 9-[2-[4-(9,9-dimethylfluoren-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole?
The InChIKey is BJQRDVUANZVSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N4/c1-54(2)46-22-12-9-19-41(46)45-33-40(30-32-47(45)54)52-55-51(38-27-25-37(26-28-38)35-15-5-3-6-16-35)56-53(57-52)44-31-29-39(36-17-7-4-8-18-36)34-50(44)58-48-23-13-10-20-42(48)43-21-11-14-24-49(43)58/h3-34H,1-2H3.
What are the key properties of 9-[2-[4-(9,9-dimethylfluoren-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole?
9-[2-[4-(9,9-dimethylfluoren-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole has a molecular weight of 742.93 g/mol, XLogP of 13.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[4-(9,9-dimethylfluoren-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole is sourced from PubChem (CID 171724613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).