4-dibenzofuran-2-yl-6-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-4-yl)-N-phenyl-1,3,5-triazin-2-amine

C48H32N4OS — CID 171727012

IUPAC4-dibenzofuran-2-yl-6-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-4-yl)-N-phenyl-1,3,5-triazin-2-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccccc3)c3nc(-c4ccc5c(c4)sc4ccccc45)nc(-c4ccc5oc6ccccc6c5c4)n3)cccc21
InChIInChI=1S/C48H32N4OS/c1-48(2)37-18-9-6-17-35(37)44-38(48)19-12-20-39(44)52(31-13-4-3-5-14-31)47-50-45(29-24-26-41-36(27-29)32-15-7-10-21-40(32)53-41)49-46(51-47)30-23-25-34-33-16-8-11-22-42(33)54-43(34)28-30/h3-28H,1-2H3
InChIKeyCVDVQQJULVYZOT-UHFFFAOYSA-N
MW712.88 g/mol
LogP13.25
Rot. Bonds5

About 4-dibenzofuran-2-yl-6-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-4-yl)-N-phenyl-1,3,5-triazin-2-amine

4-dibenzofuran-2-yl-6-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-4-yl)-N-phenyl-1,3,5-triazin-2-amine (PubChem CID 171727012) has the molecular formula C48H32N4OS and a molecular weight of 712.88 g/mol. Its IUPAC name is 4-dibenzofuran-2-yl-6-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-4-yl)-N-phenyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-dibenzofuran-2-yl-6-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-4-yl)-N-phenyl-1,3,5-triazin-2-amine
PubChem CID171727012
Molecular FormulaC48H32N4OS
Molecular Weight712.88 g/mol
Exact Mass712.23
IUPAC Name4-dibenzofuran-2-yl-6-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-4-yl)-N-phenyl-1,3,5-triazin-2-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccccc3)c3nc(-c4ccc5c(c4)sc4ccccc45)nc(-c4ccc5oc6ccccc6c5c4)n3)cccc21
InChIInChI=1S/C48H32N4OS/c1-48(2)37-18-9-6-17-35(37)44-38(48)19-12-20-39(44)52(31-13-4-3-5-14-31)47-50-45(29-24-26-41-36(27-29)32-15-7-10-21-40(32)53-41)49-46(51-47)30-23-25-34-33-16-8-11-22-42(33)54-43(34)28-30/h3-28H,1-2H3
InChIKeyCVDVQQJULVYZOT-UHFFFAOYSA-N
XLogP13.25
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.88
LogP ≤ 513.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-dibenzofuran-3-yl-4-dibenzothiophen-2-yl-N-(9,9-dimethylfluoren-4-yl)-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-amine
CID 171726933
4,6-di(dibenzofuran-2-yl)-N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-amine
CID 171727185
N-[4-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 171727220
2-dibenzofuran-2-yl-4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine
CID 165059295
2-dibenzothiophen-1-yl-4-dibenzothiophen-2-yl-6-[8-(9,9-dimethylfluoren-4-yl)dibenzofuran-1-yl]-1,3,5-triazine
CID 146964230
2-dibenzofuran-1-yl-4-dibenzothiophen-3-yl-6-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-1,3,5-triazine
CID 153369807
N-(9,9-dimethylfluoren-4-yl)-N-phenyldibenzofuran-2-amine
CID 164829370
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-2-(9,9-dimethylfluoren-3-yl)aniline
CID 168839696
9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(3-phenylphenyl)fluoren-4-amine
CID 170035242
2-dibenzothiophen-2-yl-4-[8-[3-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 166002845
4-dibenzothiophen-2-yl-N-dibenzothiophen-4-yl-6-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-1,3,5-triazin-2-amine
CID 171727133
2-dibenzofuran-1-yl-4-dibenzothiophen-2-yl-6-[8-[3-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002305

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-2-yl-6-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-4-yl)-N-phenyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-dibenzofuran-2-yl-6-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-4-yl)-N-phenyl-1,3,5-triazin-2-amine (CID 171727012) is 4-dibenzofuran-2-yl-6-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-4-yl)-N-phenyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-dibenzofuran-2-yl-6-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-4-yl)-N-phenyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-dibenzofuran-2-yl-6-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-4-yl)-N-phenyl-1,3,5-triazin-2-amine is CC1(C)c2ccccc2-c2c(N(c3ccccc3)c3nc(-c4ccc5c(c4)sc4ccccc45)nc(-c4ccc5oc6ccccc6c5c4)n3)cccc21.
What is the InChIKey of 4-dibenzofuran-2-yl-6-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-4-yl)-N-phenyl-1,3,5-triazin-2-amine?
The InChIKey is CVDVQQJULVYZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N4OS/c1-48(2)37-18-9-6-17-35(37)44-38(48)19-12-20-39(44)52(31-13-4-3-5-14-31)47-50-45(29-24-26-41-36(27-29)32-15-7-10-21-40(32)53-41)49-46(51-47)30-23-25-34-33-16-8-11-22-42(33)54-43(34)28-30/h3-28H,1-2H3.
What are the key properties of 4-dibenzofuran-2-yl-6-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-4-yl)-N-phenyl-1,3,5-triazin-2-amine?
4-dibenzofuran-2-yl-6-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-4-yl)-N-phenyl-1,3,5-triazin-2-amine has a molecular weight of 712.88 g/mol, XLogP of 13.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-2-yl-6-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-4-yl)-N-phenyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 171727012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).