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

C60H42N4O — CID 147691444

IUPACN-(9,9-dimethylfluoren-2-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3oc3cccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c34)cc21
InChIInChI=1S/C60H42N4O/c1-60(2)51-28-13-12-25-48(51)49-36-35-46(38-52(49)60)64(45-33-31-40(32-34-45)39-17-6-3-7-18-39)53-29-15-27-50-55-47(26-16-30-54(55)65-56(50)53)43-23-14-24-44(37-43)59-62-57(41-19-8-4-9-20-41)61-58(63-59)42-21-10-5-11-22-42/h3-38H,1-2H3
InChIKeyGRBCUUQKSTZMHY-UHFFFAOYSA-N
MW835.02 g/mol
LogP15.88
Rot. Bonds8

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

N-(9,9-dimethylfluoren-2-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine (PubChem CID 147691444) has the molecular formula C60H42N4O and a molecular weight of 835.02 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
PubChem CID147691444
Molecular FormulaC60H42N4O
Molecular Weight835.02 g/mol
Exact Mass834.34
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3oc3cccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c34)cc21
InChIInChI=1S/C60H42N4O/c1-60(2)51-28-13-12-25-48(51)49-36-35-46(38-52(49)60)64(45-33-31-40(32-34-45)39-17-6-3-7-18-39)53-29-15-27-50-55-47(26-16-30-54(55)65-56(50)53)43-23-14-24-44(37-43)59-62-57(41-19-8-4-9-20-41)61-58(63-59)42-21-10-5-11-22-42/h3-38H,1-2H3
InChIKeyGRBCUUQKSTZMHY-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

N-(9,9-dimethylfluoren-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 147853514
N,N-bis(9,9-dimethylfluoren-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-amine
CID 170096041
N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-amine
CID 170383733
N-(9,9-dimethylfluoren-2-yl)-15-phenyl-N-[4-(4-phenylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-8-amine
CID 171050118
2-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 166953318
N-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 163785140
N-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-amine
CID 170096050
N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-7-amine
CID 134393187
2-(4-dibenzofuran-1-ylphenyl)-4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 146649093
N-(9,9-dimethylfluoren-2-yl)-N-[3-(3-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine
CID 166028540
9-(1,3-benzoxazol-2-yl)-N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 177081651
N-(9,9-dimethylfluoren-2-yl)-N,6-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 176844440

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine (CID 147691444) is N-(9,9-dimethylfluoren-2-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3oc3cccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
The InChIKey is GRBCUUQKSTZMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N4O/c1-60(2)51-28-13-12-25-48(51)49-36-35-46(38-52(49)60)64(45-33-31-40(32-34-45)39-17-6-3-7-18-39)53-29-15-27-50-55-47(26-16-30-54(55)65-56(50)53)43-23-14-24-44(37-43)59-62-57(41-19-8-4-9-20-41)61-58(63-59)42-21-10-5-11-22-42/h3-38H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
N-(9,9-dimethylfluoren-2-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-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-(9,9-dimethylfluoren-2-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 147691444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).