8-(9,9-dimethylfluoren-3-yl)-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole;ethane

C54H42N4 — CID 142570369

IUPAC8-(9,9-dimethylfluoren-3-yl)-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole;ethane
SMILESCC.CC1(C)c2ccccc2-c2cc(-c3cccc4c5c6ccccc6ccc5n(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccccc7)cc6)n5)c34)ccc21
InChIInChI=1S/C52H36N4.C2H6/c1-52(2)44-23-12-11-20-41(44)43-32-38(28-30-45(43)52)40-21-13-22-42-47-39-19-10-9-16-35(39)29-31-46(47)56(48(40)42)51-54-49(36-17-7-4-8-18-36)53-50(55-51)37-26-24-34(25-27-37)33-14-5-3-6-15-33;1-2/h3-32H,1-2H3;1-2H3
InChIKeyIMIUBFVOWVFZDY-UHFFFAOYSA-N
MW746.96 g/mol
LogP14.12
Rot. Bonds5

About 8-(9,9-dimethylfluoren-3-yl)-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole;ethane

8-(9,9-dimethylfluoren-3-yl)-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole;ethane (PubChem CID 142570369) has the molecular formula C54H42N4 and a molecular weight of 746.96 g/mol. Its IUPAC name is 8-(9,9-dimethylfluoren-3-yl)-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole;ethane.

Molecular Properties

Compound Name8-(9,9-dimethylfluoren-3-yl)-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole;ethane
PubChem CID142570369
Molecular FormulaC54H42N4
Molecular Weight746.96 g/mol
Exact Mass746.34
IUPAC Name8-(9,9-dimethylfluoren-3-yl)-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole;ethane
SMILESCC.CC1(C)c2ccccc2-c2cc(-c3cccc4c5c6ccccc6ccc5n(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccccc7)cc6)n5)c34)ccc21
InChIInChI=1S/C52H36N4.C2H6/c1-52(2)44-23-12-11-20-41(44)43-32-38(28-30-45(43)52)40-21-13-22-42-47-39-19-10-9-16-35(39)29-31-46(47)56(48(40)42)51-54-49(36-17-7-4-8-18-36)53-50(55-51)37-26-24-34(25-27-37)33-14-5-3-6-15-33;1-2/h3-32H,1-2H3;1-2H3
InChIKeyIMIUBFVOWVFZDY-UHFFFAOYSA-N
XLogP14.12
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.96
LogP ≤ 514.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 163429067
7-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-8-(9,9-dimethylfluoren-2-yl)benzo[c]carbazole
CID 142570942
12-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-15,15-dimethyl-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
CID 164829441
4-(9,9-dimethylfluoren-2-yl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole
CID 142572202
8-dibenzothiophen-2-yl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole;ethane
CID 142569902
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
1-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-phenyl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 142569637
8-(7,7-dimethylbenzo[g]fluoren-9-yl)-7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole
CID 142571634
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
1-(7,7-dimethylbenzo[c]fluoren-10-yl)-9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
CID 142571330
5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4-(9,9-dimethylfluoren-3-yl)benzo[b]carbazole
CID 142570978
13-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-13-azaheptacyclo[14.11.1.02,14.03,12.04,9.020,28.022,27]octacosa-1(28),2(14),3(12),4,6,8,10,15,17,19,22,24,26-tridecaene
CID 134510136

Frequently Asked Questions

What is the IUPAC name of 8-(9,9-dimethylfluoren-3-yl)-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole;ethane?
The IUPAC name of 8-(9,9-dimethylfluoren-3-yl)-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole;ethane (CID 142570369) is 8-(9,9-dimethylfluoren-3-yl)-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole;ethane.
What is the SMILES notation for 8-(9,9-dimethylfluoren-3-yl)-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole;ethane?
The canonical SMILES for 8-(9,9-dimethylfluoren-3-yl)-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole;ethane is CC.CC1(C)c2ccccc2-c2cc(-c3cccc4c5c6ccccc6ccc5n(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccccc7)cc6)n5)c34)ccc21.
What is the InChIKey of 8-(9,9-dimethylfluoren-3-yl)-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole;ethane?
The InChIKey is IMIUBFVOWVFZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N4.C2H6/c1-52(2)44-23-12-11-20-41(44)43-32-38(28-30-45(43)52)40-21-13-22-42-47-39-19-10-9-16-35(39)29-31-46(47)56(48(40)42)51-54-49(36-17-7-4-8-18-36)53-50(55-51)37-26-24-34(25-27-37)33-14-5-3-6-15-33;1-2/h3-32H,1-2H3;1-2H3.
What are the key properties of 8-(9,9-dimethylfluoren-3-yl)-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole;ethane?
8-(9,9-dimethylfluoren-3-yl)-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole;ethane has a molecular weight of 746.96 g/mol, XLogP of 14.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(9,9-dimethylfluoren-3-yl)-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole;ethane is sourced from PubChem (CID 142570369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).