1-[4-(6-cyclohexa-1,3-dien-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-9-[3-(9,9-dimethylfluoren-4-yl)phenyl]carbazole

C54H42N4 — CID 136969055

IUPAC1-[4-(6-cyclohexa-1,3-dien-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-9-[3-(9,9-dimethylfluoren-4-yl)phenyl]carbazole
SMILESCC1(C)c2ccccc2-c2c(-c3cccc(-n4c5ccccc5c5cccc(-c6ccc(C7N=C(c8ccccc8)N=C(C8=CC=CCC8)N7)cc6)c54)c3)cccc21
InChIInChI=1S/C54H42N4/c1-54(2)46-27-11-9-23-45(46)49-41(24-15-28-47(49)54)39-20-13-21-40(34-39)58-48-29-12-10-22-43(48)44-26-14-25-42(50(44)58)35-30-32-38(33-31-35)53-56-51(36-16-5-3-6-17-36)55-52(57-53)37-18-7-4-8-19-37/h3-7,9-18,20-34,53H,8,19H2,1-2H3,(H,55,56,57)
InChIKeyNUISEYHDAVISGG-UHFFFAOYSA-N
MW746.96 g/mol
LogP13.15
Rot. Bonds6

About 1-[4-(6-cyclohexa-1,3-dien-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-9-[3-(9,9-dimethylfluoren-4-yl)phenyl]carbazole

1-[4-(6-cyclohexa-1,3-dien-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-9-[3-(9,9-dimethylfluoren-4-yl)phenyl]carbazole (PubChem CID 136969055) has the molecular formula C54H42N4 and a molecular weight of 746.96 g/mol. Its IUPAC name is 1-[4-(6-cyclohexa-1,3-dien-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-9-[3-(9,9-dimethylfluoren-4-yl)phenyl]carbazole.

Molecular Properties

Compound Name1-[4-(6-cyclohexa-1,3-dien-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-9-[3-(9,9-dimethylfluoren-4-yl)phenyl]carbazole
PubChem CID136969055
Molecular FormulaC54H42N4
Molecular Weight746.96 g/mol
Exact Mass746.34
IUPAC Name1-[4-(6-cyclohexa-1,3-dien-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-9-[3-(9,9-dimethylfluoren-4-yl)phenyl]carbazole
SMILESCC1(C)c2ccccc2-c2c(-c3cccc(-n4c5ccccc5c5cccc(-c6ccc(C7N=C(c8ccccc8)N=C(C8=CC=CCC8)N7)cc6)c54)c3)cccc21
InChIInChI=1S/C54H42N4/c1-54(2)46-27-11-9-23-45(46)49-41(24-15-28-47(49)54)39-20-13-21-40(34-39)58-48-29-12-10-22-43(48)44-26-14-25-42(50(44)58)35-30-32-38(33-31-35)53-56-51(36-16-5-3-6-17-36)55-52(57-53)37-18-7-4-8-19-37/h3-7,9-18,20-34,53H,8,19H2,1-2H3,(H,55,56,57)
InChIKeyNUISEYHDAVISGG-UHFFFAOYSA-N
XLogP13.15
TPSA41.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.96
LogP ≤ 513.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(6-cyclohexa-1,3-dien-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-9-[3-(9,9-dimethylfluoren-4-yl)phenyl]carbazole with MolForge

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Related Compounds

3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-[4-[6-[3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]carbazole
CID 126480816
5-[9-(3-cyclohexa-1,3-dien-1-ylphenyl)carbazol-1-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 129136291
12-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 145085542
7,7-dimethyl-12-[3-[5-(4-phenylphenyl)-2,3-dihydro-1H-1,2,4-triazol-3-yl]phenyl]indeno[1,2-a]carbazole
CID 129238358
9-[3-[4-[2-(3-phenylphenyl)phenyl]-2-[4-(3-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]carbazole
CID 137128475
1-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole
CID 129312013
3-dibenzofuran-4-yl-9-[3-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]carbazole
CID 170137075
12-[3-(4-phenylphenyl)phenyl]-1-[6-(3-phenylphenyl)-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzofuro[3,2-a]carbazole
CID 164989882
5-[3-(9,9-dimethyl-5-phenylfluoren-4-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 138714663
9-[5-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-(1-phenylcarbazol-9-yl)carbazole
CID 170097253
3-[9-[9-[4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 137218561
11-[4-(9,9-dimethylfluoren-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
CID 118487938

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-cyclohexa-1,3-dien-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-9-[3-(9,9-dimethylfluoren-4-yl)phenyl]carbazole?
The IUPAC name of 1-[4-(6-cyclohexa-1,3-dien-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-9-[3-(9,9-dimethylfluoren-4-yl)phenyl]carbazole (CID 136969055) is 1-[4-(6-cyclohexa-1,3-dien-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-9-[3-(9,9-dimethylfluoren-4-yl)phenyl]carbazole.
What is the SMILES notation for 1-[4-(6-cyclohexa-1,3-dien-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-9-[3-(9,9-dimethylfluoren-4-yl)phenyl]carbazole?
The canonical SMILES for 1-[4-(6-cyclohexa-1,3-dien-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-9-[3-(9,9-dimethylfluoren-4-yl)phenyl]carbazole is CC1(C)c2ccccc2-c2c(-c3cccc(-n4c5ccccc5c5cccc(-c6ccc(C7N=C(c8ccccc8)N=C(C8=CC=CCC8)N7)cc6)c54)c3)cccc21.
What is the InChIKey of 1-[4-(6-cyclohexa-1,3-dien-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-9-[3-(9,9-dimethylfluoren-4-yl)phenyl]carbazole?
The InChIKey is NUISEYHDAVISGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H42N4/c1-54(2)46-27-11-9-23-45(46)49-41(24-15-28-47(49)54)39-20-13-21-40(34-39)58-48-29-12-10-22-43(48)44-26-14-25-42(50(44)58)35-30-32-38(33-31-35)53-56-51(36-16-5-3-6-17-36)55-52(57-53)37-18-7-4-8-19-37/h3-7,9-18,20-34,53H,8,19H2,1-2H3,(H,55,56,57).
What are the key properties of 1-[4-(6-cyclohexa-1,3-dien-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-9-[3-(9,9-dimethylfluoren-4-yl)phenyl]carbazole?
1-[4-(6-cyclohexa-1,3-dien-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-9-[3-(9,9-dimethylfluoren-4-yl)phenyl]carbazole has a molecular weight of 746.96 g/mol, XLogP of 13.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-cyclohexa-1,3-dien-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-9-[3-(9,9-dimethylfluoren-4-yl)phenyl]carbazole is sourced from PubChem (CID 136969055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).