16-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N,19-triphenyl-12-oxa-16-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaen-4-amine

C55H35N5O — CID 155335502

IUPAC16-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N,19-triphenyl-12-oxa-16-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaen-4-amine
SMILESc1ccc(-c2ccc3c4cc5c(cc4n(-c4nc(-c6ccccc6)nc(-c6ccccc6)n4)c3c2)oc2c3ccccc3c(N(c3ccccc3)c3ccccc3)cc52)cc1
InChIInChI=1S/C55H35N5O/c1-6-18-36(19-7-1)39-30-31-43-45-33-46-47-34-49(59(40-24-12-4-13-25-40)41-26-14-5-15-27-41)42-28-16-17-29-44(42)52(47)61-51(46)35-50(45)60(48(43)32-39)55-57-53(37-20-8-2-9-21-37)56-54(58-55)38-22-10-3-11-23-38/h1-35H
InChIKeyBKCCWJKWOMEIQS-UHFFFAOYSA-N
MW781.92 g/mol
LogP14.49
Rot. Bonds7

About 16-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N,19-triphenyl-12-oxa-16-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaen-4-amine

16-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N,19-triphenyl-12-oxa-16-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaen-4-amine (PubChem CID 155335502) has the molecular formula C55H35N5O and a molecular weight of 781.92 g/mol. Its IUPAC name is 16-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N,19-triphenyl-12-oxa-16-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaen-4-amine.

Molecular Properties

Compound Name16-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N,19-triphenyl-12-oxa-16-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaen-4-amine
PubChem CID155335502
Molecular FormulaC55H35N5O
Molecular Weight781.92 g/mol
Exact Mass781.28
IUPAC Name16-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N,19-triphenyl-12-oxa-16-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaen-4-amine
SMILESc1ccc(-c2ccc3c4cc5c(cc4n(-c4nc(-c6ccccc6)nc(-c6ccccc6)n4)c3c2)oc2c3ccccc3c(N(c3ccccc3)c3ccccc3)cc52)cc1
InChIInChI=1S/C55H35N5O/c1-6-18-36(19-7-1)39-30-31-43-45-33-46-47-34-49(59(40-24-12-4-13-25-40)41-26-14-5-15-27-41)42-28-16-17-29-44(42)52(47)61-51(46)35-50(45)60(48(43)32-39)55-57-53(37-20-8-2-9-21-37)56-54(58-55)38-22-10-3-11-23-38/h1-35H
InChIKeyBKCCWJKWOMEIQS-UHFFFAOYSA-N
XLogP14.49
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.92
LogP ≤ 514.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 16-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N,19-triphenyl-12-oxa-16-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaen-4-amine with MolForge

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Related Compounds

11-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,18-dioxa-11-azaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene
CID 118301187
N-dibenzofuran-3-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 155410982
8-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-1-yl-N-phenylnaphtho[1,2-b][1]benzofuran-5-amine
CID 169294604
N-(4-carbazol-9-ylphenyl)-8-(2,6-diphenylpyrimidin-4-yl)-N-phenylnaphtho[1,2-b][1]benzofuran-5-amine
CID 169294633
N-dibenzofuran-3-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-naphthalen-2-ylphenyl)-N-phenylcarbazol-2-amine
CID 155409935
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 170095984
9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2,6-diphenylcarbazole
CID 146395667
9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenylcarbazole
CID 146335876
2-[3-[3-[4-(6-carbazol-9-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-9-[8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
CID 170371029
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]carbazole;7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 160917779
9-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-2-(8-phenyldibenzofuran-2-yl)carbazole
CID 167309669
7-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-b]carbazole
CID 163573968

Frequently Asked Questions

What is the IUPAC name of 16-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N,19-triphenyl-12-oxa-16-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaen-4-amine?
The IUPAC name of 16-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N,19-triphenyl-12-oxa-16-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaen-4-amine (CID 155335502) is 16-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N,19-triphenyl-12-oxa-16-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaen-4-amine.
What is the SMILES notation for 16-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N,19-triphenyl-12-oxa-16-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaen-4-amine?
The canonical SMILES for 16-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N,19-triphenyl-12-oxa-16-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaen-4-amine is c1ccc(-c2ccc3c4cc5c(cc4n(-c4nc(-c6ccccc6)nc(-c6ccccc6)n4)c3c2)oc2c3ccccc3c(N(c3ccccc3)c3ccccc3)cc52)cc1.
What is the InChIKey of 16-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N,19-triphenyl-12-oxa-16-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaen-4-amine?
The InChIKey is BKCCWJKWOMEIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N5O/c1-6-18-36(19-7-1)39-30-31-43-45-33-46-47-34-49(59(40-24-12-4-13-25-40)41-26-14-5-15-27-41)42-28-16-17-29-44(42)52(47)61-51(46)35-50(45)60(48(43)32-39)55-57-53(37-20-8-2-9-21-37)56-54(58-55)38-22-10-3-11-23-38/h1-35H.
What are the key properties of 16-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N,19-triphenyl-12-oxa-16-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaen-4-amine?
16-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N,19-triphenyl-12-oxa-16-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaen-4-amine has a molecular weight of 781.92 g/mol, XLogP of 14.49, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 16-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N,19-triphenyl-12-oxa-16-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaen-4-amine is sourced from PubChem (CID 155335502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).