N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine

C60H42N4O — CID 142427405

IUPACN-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine
SMILESCC1(C)c2ccccc2-c2cccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5oc6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6c5c4)cc3)c21
InChIInChI=1S/C60H42N4O/c1-60(2)51-25-13-12-22-47(51)48-23-14-26-52(56(48)60)64(45-33-28-40(29-34-45)39-16-6-3-7-17-39)46-35-30-41(31-36-46)44-32-37-53-50(38-44)55-49(24-15-27-54(55)65-53)59-62-57(42-18-8-4-9-19-42)61-58(63-59)43-20-10-5-11-21-43/h3-38H,1-2H3
InChIKeyGIZPZYAETGKNGS-UHFFFAOYSA-N
MW835.02 g/mol
LogP15.88
Rot. Bonds8

About N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine

N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine (PubChem CID 142427405) has the molecular formula C60H42N4O and a molecular weight of 835.02 g/mol. Its IUPAC name is N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine.

Molecular Properties

Compound NameN-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine
PubChem CID142427405
Molecular FormulaC60H42N4O
Molecular Weight835.02 g/mol
Exact Mass834.34
IUPAC NameN-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine
SMILESCC1(C)c2ccccc2-c2cccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5oc6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6c5c4)cc3)c21
InChIInChI=1S/C60H42N4O/c1-60(2)51-25-13-12-22-47(51)48-23-14-26-52(56(48)60)64(45-33-28-40(29-34-45)39-16-6-3-7-17-39)46-35-30-41(31-36-46)44-32-37-53-50(38-44)55-49(24-15-27-54(55)65-53)59-62-57(42-18-8-4-9-19-42)61-58(63-59)43-20-10-5-11-21-43/h3-38H,1-2H3
InChIKeyGIZPZYAETGKNGS-UHFFFAOYSA-N
XLogP15.88
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500835.02
LogP ≤ 515.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[8-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 166002481
2-[8-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 166003177
2-[8-[3-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 153369077
2-[8-[3-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 153369552
N-(9,9-dimethylfluoren-1-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 170095178
2-[8-(9,9-dimethylfluoren-3-yl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 153369020
2-[8-(9,9-dimethylfluoren-1-yl)dibenzofuran-1-yl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166002414
2-dibenzofuran-2-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
CID 153368936
2-[8-[4-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 153369225
2-dibenzofuran-1-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 166002258
N-(9,9-dimethylfluoren-2-yl)-8-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-N-phenyldibenzofuran-1-amine
CID 163862815
N-[4-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 167067132

Frequently Asked Questions

What is the IUPAC name of N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine?
The IUPAC name of N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine (CID 142427405) is N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine.
What is the SMILES notation for N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine?
The canonical SMILES for N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine is CC1(C)c2ccccc2-c2cccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5oc6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6c5c4)cc3)c21.
What is the InChIKey of N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine?
The InChIKey is GIZPZYAETGKNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N4O/c1-60(2)51-25-13-12-22-47(51)48-23-14-26-52(56(48)60)64(45-33-28-40(29-34-45)39-16-6-3-7-17-39)46-35-30-41(31-36-46)44-32-37-53-50(38-44)55-49(24-15-27-54(55)65-53)59-62-57(42-18-8-4-9-19-42)61-58(63-59)43-20-10-5-11-21-43/h3-38H,1-2H3.
What are the key properties of N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine?
N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine has a molecular weight of 835.02 g/mol, XLogP of 15.88, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine is sourced from PubChem (CID 142427405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).