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

C54H38N4O — CID 163996729

IUPAC9-(4-cyclohexa-1,5-dien-1-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-1-[3-(9,9-dimethylfluoren-4-yl)phenyl]carbazole
SMILESCC1(C)c2ccccc2-c2c(-c3cccc(-c4cccc5c6ccccc6n(-c6nc(C7=CCCC=C7)nc(-c7ccc8c(c7)oc7ccccc78)n6)c45)c3)cccc21
InChIInChI=1S/C54H38N4O/c1-54(2)44-25-9-6-21-43(44)49-37(22-14-26-45(49)54)34-17-12-18-35(31-34)38-23-13-24-42-39-19-7-10-27-46(39)58(50(38)42)53-56-51(33-15-4-3-5-16-33)55-52(57-53)36-29-30-41-40-20-8-11-28-47(40)59-48(41)32-36/h4,6-32H,3,5H2,1-2H3
InChIKeyUFIBHQBRUGTHEK-UHFFFAOYSA-N
MW758.92 g/mol
LogP13.91
Rot. Bonds5

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

9-(4-cyclohexa-1,5-dien-1-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-1-[3-(9,9-dimethylfluoren-4-yl)phenyl]carbazole (PubChem CID 163996729) has the molecular formula C54H38N4O and a molecular weight of 758.92 g/mol. Its IUPAC name is 9-(4-cyclohexa-1,5-dien-1-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-1-[3-(9,9-dimethylfluoren-4-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-(4-cyclohexa-1,5-dien-1-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-1-[3-(9,9-dimethylfluoren-4-yl)phenyl]carbazole
PubChem CID163996729
Molecular FormulaC54H38N4O
Molecular Weight758.92 g/mol
Exact Mass758.30
IUPAC Name9-(4-cyclohexa-1,5-dien-1-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-1-[3-(9,9-dimethylfluoren-4-yl)phenyl]carbazole
SMILESCC1(C)c2ccccc2-c2c(-c3cccc(-c4cccc5c6ccccc6n(-c6nc(C7=CCCC=C7)nc(-c7ccc8c(c7)oc7ccccc78)n6)c45)c3)cccc21
InChIInChI=1S/C54H38N4O/c1-54(2)44-25-9-6-21-43(44)49-37(22-14-26-45(49)54)34-17-12-18-35(31-34)38-23-13-24-42-39-19-7-10-27-46(39)58(50(38)42)53-56-51(33-15-4-3-5-16-33)55-52(57-53)36-29-30-41-40-20-8-11-28-47(40)59-48(41)32-36/h4,6-32H,3,5H2,1-2H3
InChIKeyUFIBHQBRUGTHEK-UHFFFAOYSA-N
XLogP13.91
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.92
LogP ≤ 513.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

11-[4-dibenzofuran-3-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazin-2-yl]-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene
CID 169058057
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-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4-(9,9-dimethylfluoren-3-yl)benzo[b]carbazole
CID 142570978
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-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-phenylcarbazole
CID 142571981
11-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-10-(9,9-dimethylfluoren-4-yl)benzo[a]carbazole;ethane
CID 142570626
9-[8-[7-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzofuran-4-yl]carbazole
CID 163688417
5-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 166914017
9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-(7-phenyldibenzofuran-2-yl)carbazole
CID 167309895
11-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-12,12-diphenylindeno[2,1-a]carbazole
CID 131973034
11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]benzo[a]carbazole;ethane
CID 142569292
7-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-8-(7,7-dimethylbenzo[c]fluoren-10-yl)benzo[c]carbazole
CID 163654534

Frequently Asked Questions

What is the IUPAC name of 9-(4-cyclohexa-1,5-dien-1-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-1-[3-(9,9-dimethylfluoren-4-yl)phenyl]carbazole?
The IUPAC name of 9-(4-cyclohexa-1,5-dien-1-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-1-[3-(9,9-dimethylfluoren-4-yl)phenyl]carbazole (CID 163996729) is 9-(4-cyclohexa-1,5-dien-1-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-1-[3-(9,9-dimethylfluoren-4-yl)phenyl]carbazole.
What is the SMILES notation for 9-(4-cyclohexa-1,5-dien-1-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-1-[3-(9,9-dimethylfluoren-4-yl)phenyl]carbazole?
The canonical SMILES for 9-(4-cyclohexa-1,5-dien-1-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-1-[3-(9,9-dimethylfluoren-4-yl)phenyl]carbazole is CC1(C)c2ccccc2-c2c(-c3cccc(-c4cccc5c6ccccc6n(-c6nc(C7=CCCC=C7)nc(-c7ccc8c(c7)oc7ccccc78)n6)c45)c3)cccc21.
What is the InChIKey of 9-(4-cyclohexa-1,5-dien-1-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-1-[3-(9,9-dimethylfluoren-4-yl)phenyl]carbazole?
The InChIKey is UFIBHQBRUGTHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N4O/c1-54(2)44-25-9-6-21-43(44)49-37(22-14-26-45(49)54)34-17-12-18-35(31-34)38-23-13-24-42-39-19-7-10-27-46(39)58(50(38)42)53-56-51(33-15-4-3-5-16-33)55-52(57-53)36-29-30-41-40-20-8-11-28-47(40)59-48(41)32-36/h4,6-32H,3,5H2,1-2H3.
What are the key properties of 9-(4-cyclohexa-1,5-dien-1-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-1-[3-(9,9-dimethylfluoren-4-yl)phenyl]carbazole?
9-(4-cyclohexa-1,5-dien-1-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-1-[3-(9,9-dimethylfluoren-4-yl)phenyl]carbazole has a molecular weight of 758.92 g/mol, XLogP of 13.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-cyclohexa-1,5-dien-1-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-1-[3-(9,9-dimethylfluoren-4-yl)phenyl]carbazole is sourced from PubChem (CID 163996729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).