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

C66H44N6O — CID 171727025

IUPACN-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-4-yl)-4-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc4c(c3)oc3ccccc34)c3nc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)nc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)n3)cccc21
InChIInChI=1S/C66H44N6O/c1-66(2)53-26-13-9-25-51(53)62-54(66)27-17-30-58(62)72(45-34-36-50-49-24-12-16-31-60(49)73-61(50)40-45)65-68-63(41-33-37-57-52(38-41)47-23-11-15-29-56(47)70(57)43-18-5-3-6-19-43)67-64(69-65)42-32-35-48-46-22-10-14-28-55(46)71(59(48)39-42)44-20-7-4-8-21-44/h3-40H,1-2H3
InChIKeyLTRXVLPEUYILEK-UHFFFAOYSA-N
MW937.12 g/mol
LogP17.08
Rot. Bonds7

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

N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-4-yl)-4-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-amine (PubChem CID 171727025) has the molecular formula C66H44N6O and a molecular weight of 937.12 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-4-yl)-4-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-4-yl)-4-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-amine
PubChem CID171727025
Molecular FormulaC66H44N6O
Molecular Weight937.12 g/mol
Exact Mass936.36
IUPAC NameN-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-4-yl)-4-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc4c(c3)oc3ccccc34)c3nc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)nc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)n3)cccc21
InChIInChI=1S/C66H44N6O/c1-66(2)53-26-13-9-25-51(53)62-54(66)27-17-30-58(62)72(45-34-36-50-49-24-12-16-31-60(49)73-61(50)40-45)65-68-63(41-33-37-57-52(38-41)47-23-11-15-29-56(47)70(57)43-18-5-3-6-19-43)67-64(69-65)42-32-35-48-46-22-10-14-28-55(46)71(59(48)39-42)44-20-7-4-8-21-44/h3-40H,1-2H3
InChIKeyLTRXVLPEUYILEK-UHFFFAOYSA-N
XLogP17.08
TPSA64.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500937.12
LogP ≤ 517.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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
N-dibenzofuran-2-yl-9-(4-fluorophenyl)-N-(9-phenylcarbazol-3-yl)carbazol-2-amine;N-dibenzofuran-3-yl-9-(4-fluorophenyl)-N-(9-phenylcarbazol-3-yl)carbazol-2-amine;N-(9,9-dimethylfluoren-4-yl)-N-[9-(4-fluorophenyl)carbazol-3-yl]-9-phenylcarbazol-2-amine;N-(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-3-yl]-9-phenylcarbazol-2-amine
CID 157254887
3-[4-(9,9-dimethylfluoren-4-yl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 170681002
N-(3-dibenzofuran-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-phenylcarbazol-2-amine
CID 170139036
N-dibenzofuran-3-yl-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-6-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine;N-(9,9-dimethylfluoren-4-yl)-6-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 165012429
N-(9,9-dimethylfluoren-4-yl)-N-naphthalen-2-yl-8-(5-phenylbenzo[b]carbazol-2-yl)dibenzofuran-1-amine
CID 138484797
N-(9,9-dimethylfluoren-4-yl)-N-(4-methylphenyl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine
CID 138484965
N-(9,9-dimethylfluoren-4-yl)-6-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 169060749
N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 121285816
N,N-di(dibenzofuran-1-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine;N-(9,9-dimethylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 165103115
N-(9,9-diphenylfluoren-4-yl)-N-phenyl-8-(9-phenylcarbazol-3-yl)dibenzofuran-3-amine
CID 129180885
4-([1]benzofuro[2,3-b]carbazol-7-yl)-N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)quinazolin-2-amine
CID 142427179

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-4-yl)-4-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-amine?
The IUPAC name of N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-4-yl)-4-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-amine (CID 171727025) is N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-4-yl)-4-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-4-yl)-4-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-4-yl)-4-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-amine is CC1(C)c2ccccc2-c2c(N(c3ccc4c(c3)oc3ccccc34)c3nc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)nc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)n3)cccc21.
What is the InChIKey of N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-4-yl)-4-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-amine?
The InChIKey is LTRXVLPEUYILEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N6O/c1-66(2)53-26-13-9-25-51(53)62-54(66)27-17-30-58(62)72(45-34-36-50-49-24-12-16-31-60(49)73-61(50)40-45)65-68-63(41-33-37-57-52(38-41)47-23-11-15-29-56(47)70(57)43-18-5-3-6-19-43)67-64(69-65)42-32-35-48-46-22-10-14-28-55(46)71(59(48)39-42)44-20-7-4-8-21-44/h3-40H,1-2H3.
What are the key properties of N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-4-yl)-4-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-amine?
N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-4-yl)-4-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-amine has a molecular weight of 937.12 g/mol, XLogP of 17.08, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-4-yl)-4-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 171727025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).