17-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-9-oxa-17-azaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene

C47H26N4O — CID 165092968

IUPAC17-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-9-oxa-17-azaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5cccc6c5c5c7c(ccc8oc9cccc-6c9c87)ccc54)c4ccccc34)n2)cc1
InChIInChI=1S/C47H26N4O/c1-3-11-28(12-4-1)45-48-46(29-13-5-2-6-14-29)50-47(49-45)34-23-25-35(31-16-8-7-15-30(31)34)51-36-19-9-17-32-33-18-10-20-38-42(33)44-39(52-38)26-22-27-21-24-37(51)43(40(27)44)41(32)36/h1-26H
InChIKeySNHQFTAJKBBZEW-UHFFFAOYSA-N
MW662.75 g/mol
LogP12.16
Rot. Bonds4

About 17-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-9-oxa-17-azaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene

17-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-9-oxa-17-azaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene (PubChem CID 165092968) has the molecular formula C47H26N4O and a molecular weight of 662.75 g/mol. Its IUPAC name is 17-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-9-oxa-17-azaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene.

Molecular Properties

Compound Name17-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-9-oxa-17-azaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene
PubChem CID165092968
Molecular FormulaC47H26N4O
Molecular Weight662.75 g/mol
Exact Mass662.21
IUPAC Name17-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-9-oxa-17-azaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5cccc6c5c5c7c(ccc8oc9cccc-6c9c87)ccc54)c4ccccc34)n2)cc1
InChIInChI=1S/C47H26N4O/c1-3-11-28(12-4-1)45-48-46(29-13-5-2-6-14-29)50-47(49-45)34-23-25-35(31-16-8-7-15-30(31)34)51-36-19-9-17-32-33-18-10-20-38-42(33)44-39(52-38)26-22-27-21-24-37(51)43(40(27)44)41(32)36/h1-26H
InChIKeySNHQFTAJKBBZEW-UHFFFAOYSA-N
XLogP12.16
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.75
LogP ≤ 512.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 17-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-9-oxa-17-azaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

17-[4-[4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]phenyl]-9-oxa-17-azaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene
CID 163595133
6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-18-oxa-6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1,3,5(17),7(16),8,10(15),11,13-octaene
CID 160515330
26-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-oxa-26-azaoctacyclo[16.7.1.04,24.06,23.09,22.012,21.015,20.019,25]hexacosa-1(25),2,4(24),6(23),7,9(22),10,12(21),13,15(20),16,18-dodecaene
CID 162770204
23-[1-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene
CID 163466121
23-[9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene
CID 163829562
6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene]
CID 170668213
7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-4-yl]benzo[c]carbazole
CID 166495719
10-[2-[4-[4-(23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaen-23-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-23-[4-[4-[2-[23-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaen-10-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene
CID 159223475
30-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-11-phenyl-11,30-diazaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene;30-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-11-phenyl-11,30-diazaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene
CID 158396637
23-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene
CID 139497776
9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]carbazole
CID 166917822
23-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene
CID 155151383

Frequently Asked Questions

What is the IUPAC name of 17-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-9-oxa-17-azaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene?
The IUPAC name of 17-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-9-oxa-17-azaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene (CID 165092968) is 17-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-9-oxa-17-azaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene.
What is the SMILES notation for 17-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-9-oxa-17-azaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene?
The canonical SMILES for 17-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-9-oxa-17-azaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5cccc6c5c5c7c(ccc8oc9cccc-6c9c87)ccc54)c4ccccc34)n2)cc1.
What is the InChIKey of 17-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-9-oxa-17-azaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene?
The InChIKey is SNHQFTAJKBBZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H26N4O/c1-3-11-28(12-4-1)45-48-46(29-13-5-2-6-14-29)50-47(49-45)34-23-25-35(31-16-8-7-15-30(31)34)51-36-19-9-17-32-33-18-10-20-38-42(33)44-39(52-38)26-22-27-21-24-37(51)43(40(27)44)41(32)36/h1-26H.
What are the key properties of 17-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-9-oxa-17-azaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene?
17-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-9-oxa-17-azaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene has a molecular weight of 662.75 g/mol, XLogP of 12.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 17-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-9-oxa-17-azaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene is sourced from PubChem (CID 165092968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).