N-(9,9-dimethylfluoren-2-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenylnaphtho[2,3-b][1]benzofuran-6-amine

C52H36N4O — CID 170211847

IUPACN-(9,9-dimethylfluoren-2-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenylnaphtho[2,3-b][1]benzofuran-6-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3c4ccccc4cc4c3oc3cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc34)cc21
InChIInChI=1S/C52H36N4O/c1-52(2)44-25-15-14-24-40(44)41-29-27-38(32-45(41)52)56(37-21-10-5-11-22-37)47-39-23-13-12-20-35(39)30-43-42-28-26-36(31-46(42)57-48(43)47)51-54-49(33-16-6-3-7-17-33)53-50(55-51)34-18-8-4-9-19-34/h3-32H,1-2H3
InChIKeySWDGOTDJLIRCDJ-UHFFFAOYSA-N
MW732.89 g/mol
LogP13.70
Rot. Bonds6

About N-(9,9-dimethylfluoren-2-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenylnaphtho[2,3-b][1]benzofuran-6-amine

N-(9,9-dimethylfluoren-2-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenylnaphtho[2,3-b][1]benzofuran-6-amine (PubChem CID 170211847) has the molecular formula C52H36N4O and a molecular weight of 732.89 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenylnaphtho[2,3-b][1]benzofuran-6-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenylnaphtho[2,3-b][1]benzofuran-6-amine
PubChem CID170211847
Molecular FormulaC52H36N4O
Molecular Weight732.89 g/mol
Exact Mass732.29
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenylnaphtho[2,3-b][1]benzofuran-6-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3c4ccccc4cc4c3oc3cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc34)cc21
InChIInChI=1S/C52H36N4O/c1-52(2)44-25-15-14-24-40(44)41-29-27-38(32-45(41)52)56(37-21-10-5-11-22-37)47-39-23-13-12-20-35(39)30-43-42-28-26-36(31-46(42)57-48(43)47)51-54-49(33-16-6-3-7-17-33)53-50(55-51)34-18-8-4-9-19-34/h3-32H,1-2H3
InChIKeySWDGOTDJLIRCDJ-UHFFFAOYSA-N
XLogP13.70
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.89
LogP ≤ 513.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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,N-bis(9,9-dimethylfluoren-2-yl)-6-phenylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169296266
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169295312
N,N-bis(9,9-dimethylfluoren-2-yl)-3,7-diphenyldibenzofuran-4-amine
CID 174261155
6-(9,9-dimethylfluoren-2-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169296272
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)-2-naphtho[1,2-b][1]benzofuran-9-yl-N-(4-phenylphenyl)triphenylen-1-amine
CID 177294664
N,N,6-tris(9,9-dimethylfluoren-2-yl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169295606
N-(9,9-dimethylfluoren-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 147853514
7-N,19-N-bis(9,9-dimethylfluoren-2-yl)-7-N,19-N-bis(4-phenylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine
CID 153303315

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenylnaphtho[2,3-b][1]benzofuran-6-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenylnaphtho[2,3-b][1]benzofuran-6-amine (CID 170211847) is N-(9,9-dimethylfluoren-2-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenylnaphtho[2,3-b][1]benzofuran-6-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenylnaphtho[2,3-b][1]benzofuran-6-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenylnaphtho[2,3-b][1]benzofuran-6-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3c4ccccc4cc4c3oc3cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenylnaphtho[2,3-b][1]benzofuran-6-amine?
The InChIKey is SWDGOTDJLIRCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N4O/c1-52(2)44-25-15-14-24-40(44)41-29-27-38(32-45(41)52)56(37-21-10-5-11-22-37)47-39-23-13-12-20-35(39)30-43-42-28-26-36(31-46(42)57-48(43)47)51-54-49(33-16-6-3-7-17-33)53-50(55-51)34-18-8-4-9-19-34/h3-32H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenylnaphtho[2,3-b][1]benzofuran-6-amine?
N-(9,9-dimethylfluoren-2-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenylnaphtho[2,3-b][1]benzofuran-6-amine has a molecular weight of 732.89 g/mol, XLogP of 13.70, 6 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)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenylnaphtho[2,3-b][1]benzofuran-6-amine is sourced from PubChem (CID 170211847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).