17-N-cyclohexa-2,4-dien-1-yl-20-phenyl-10-oxa-15-azahexacyclo[13.6.1.02,14.03,11.04,9.018,22]docosa-1(22),2(14),3(11),4,6,8,12,16,18,20-decaene-16,17-diamine

C32H23N3O — CID 144984706

IUPAC17-N-cyclohexa-2,4-dien-1-yl-20-phenyl-10-oxa-15-azahexacyclo[13.6.1.02,14.03,11.04,9.018,22]docosa-1(22),2(14),3(11),4,6,8,12,16,18,20-decaene-16,17-diamine
SMILESNc1c(NC2C=CC=CC2)c2cc(-c3ccccc3)cc3c4c5c(ccc4n1c23)oc1ccccc15
InChIInChI=1S/C32H23N3O/c33-32-30(34-21-11-5-2-6-12-21)24-18-20(19-9-3-1-4-10-19)17-23-28-25(35(32)31(23)24)15-16-27-29(28)22-13-7-8-14-26(22)36-27/h1-11,13-18,21,34H,12,33H2
InChIKeyLITSJJPTEIHQFV-UHFFFAOYSA-N
MW465.56 g/mol
LogP8.13
Rot. Bonds3

About 17-N-cyclohexa-2,4-dien-1-yl-20-phenyl-10-oxa-15-azahexacyclo[13.6.1.02,14.03,11.04,9.018,22]docosa-1(22),2(14),3(11),4,6,8,12,16,18,20-decaene-16,17-diamine

17-N-cyclohexa-2,4-dien-1-yl-20-phenyl-10-oxa-15-azahexacyclo[13.6.1.02,14.03,11.04,9.018,22]docosa-1(22),2(14),3(11),4,6,8,12,16,18,20-decaene-16,17-diamine (PubChem CID 144984706) has the molecular formula C32H23N3O and a molecular weight of 465.56 g/mol. Its IUPAC name is 17-N-cyclohexa-2,4-dien-1-yl-20-phenyl-10-oxa-15-azahexacyclo[13.6.1.02,14.03,11.04,9.018,22]docosa-1(22),2(14),3(11),4,6,8,12,16,18,20-decaene-16,17-diamine.

Molecular Properties

Compound Name17-N-cyclohexa-2,4-dien-1-yl-20-phenyl-10-oxa-15-azahexacyclo[13.6.1.02,14.03,11.04,9.018,22]docosa-1(22),2(14),3(11),4,6,8,12,16,18,20-decaene-16,17-diamine
PubChem CID144984706
Molecular FormulaC32H23N3O
Molecular Weight465.56 g/mol
Exact Mass465.18
IUPAC Name17-N-cyclohexa-2,4-dien-1-yl-20-phenyl-10-oxa-15-azahexacyclo[13.6.1.02,14.03,11.04,9.018,22]docosa-1(22),2(14),3(11),4,6,8,12,16,18,20-decaene-16,17-diamine
SMILESNc1c(NC2C=CC=CC2)c2cc(-c3ccccc3)cc3c4c5c(ccc4n1c23)oc1ccccc15
InChIInChI=1S/C32H23N3O/c33-32-30(34-21-11-5-2-6-12-21)24-18-20(19-9-3-1-4-10-19)17-23-28-25(35(32)31(23)24)15-16-27-29(28)22-13-7-8-14-26(22)36-27/h1-11,13-18,21,34H,12,33H2
InChIKeyLITSJJPTEIHQFV-UHFFFAOYSA-N
XLogP8.13
TPSA55.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.56
LogP ≤ 58.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 17-N-cyclohexa-2,4-dien-1-yl-20-phenyl-10-oxa-15-azahexacyclo[13.6.1.02,14.03,11.04,9.018,22]docosa-1(22),2(14),3(11),4,6,8,12,16,18,20-decaene-16,17-diamine with MolForge

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Related Compounds

6-phenyl-25-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4(9),5,7,10,12,14,16(30),17(29),18(26),19,21,23,27-tetradecaene
CID 129092434
4-cyclohexa-2,4-dien-1-yl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 58569514
6,32-dioxa-1-azadecacyclo[21.13.1.02,14.05,13.07,12.015,37.016,21.024,36.025,33.026,31]heptatriaconta-2(14),3,5(13),7,9,11,15(37),16,18,20,22,24(36),25(33),26,28,30,34-heptadecaene
CID 146376238
5-[3-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)phenyl]-18-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 118148546
3-cyclohexa-2,4-dien-1-yl-5-phenyl-1-[4-(8-phenyldibenzofuran-2-yl)phenyl]indole
CID 126620697
10-oxa-15-azaheptacyclo[13.10.1.02,14.03,11.04,9.016,21.022,26]hexacosa-1(25),2(14),3(11),4,6,8,12,16,20,22(26),23-undecaene
CID 134436853
14-naphthalen-2-yl-25-oxa-1,3-diazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12(30),13,15,17(29),18(26),19,21,23,27-tetradecaene;21-naphthalen-1-yl-25-oxa-1,3-diazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12(30),13,15,17(29),18(26),19(24),20,22,27-tetradecaene;21-phenyl-25-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12,14,16(30),17(29),18(26),19(24),20,22,27-tetradecaene
CID 157071967
29-oxa-1,3,10-triazanonacyclo[18.13.1.02,11.04,9.012,34.013,18.021,33.022,30.023,28]tetratriaconta-2(11),5,7,12(34),13,15,17,19,21(33),22(30),23,25,27,31-tetradecaene
CID 163962040
18-phenyl-14-pyrimidin-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
CID 121287188
2-(3-cyclohexa-2,4-dien-1-yldibenzofuran-1-yl)-4-phenyl-6-(6-phenylphenanthren-3-yl)-1,3,5-triazine
CID 174316379
9,24-di(dibenzofuran-2-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene;3,18-diphenyl-14,29-bis(4-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene
CID 162094159
5-(14-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-7-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 169060885

Frequently Asked Questions

What is the IUPAC name of 17-N-cyclohexa-2,4-dien-1-yl-20-phenyl-10-oxa-15-azahexacyclo[13.6.1.02,14.03,11.04,9.018,22]docosa-1(22),2(14),3(11),4,6,8,12,16,18,20-decaene-16,17-diamine?
The IUPAC name of 17-N-cyclohexa-2,4-dien-1-yl-20-phenyl-10-oxa-15-azahexacyclo[13.6.1.02,14.03,11.04,9.018,22]docosa-1(22),2(14),3(11),4,6,8,12,16,18,20-decaene-16,17-diamine (CID 144984706) is 17-N-cyclohexa-2,4-dien-1-yl-20-phenyl-10-oxa-15-azahexacyclo[13.6.1.02,14.03,11.04,9.018,22]docosa-1(22),2(14),3(11),4,6,8,12,16,18,20-decaene-16,17-diamine.
What is the SMILES notation for 17-N-cyclohexa-2,4-dien-1-yl-20-phenyl-10-oxa-15-azahexacyclo[13.6.1.02,14.03,11.04,9.018,22]docosa-1(22),2(14),3(11),4,6,8,12,16,18,20-decaene-16,17-diamine?
The canonical SMILES for 17-N-cyclohexa-2,4-dien-1-yl-20-phenyl-10-oxa-15-azahexacyclo[13.6.1.02,14.03,11.04,9.018,22]docosa-1(22),2(14),3(11),4,6,8,12,16,18,20-decaene-16,17-diamine is Nc1c(NC2C=CC=CC2)c2cc(-c3ccccc3)cc3c4c5c(ccc4n1c23)oc1ccccc15.
What is the InChIKey of 17-N-cyclohexa-2,4-dien-1-yl-20-phenyl-10-oxa-15-azahexacyclo[13.6.1.02,14.03,11.04,9.018,22]docosa-1(22),2(14),3(11),4,6,8,12,16,18,20-decaene-16,17-diamine?
The InChIKey is LITSJJPTEIHQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23N3O/c33-32-30(34-21-11-5-2-6-12-21)24-18-20(19-9-3-1-4-10-19)17-23-28-25(35(32)31(23)24)15-16-27-29(28)22-13-7-8-14-26(22)36-27/h1-11,13-18,21,34H,12,33H2.
What are the key properties of 17-N-cyclohexa-2,4-dien-1-yl-20-phenyl-10-oxa-15-azahexacyclo[13.6.1.02,14.03,11.04,9.018,22]docosa-1(22),2(14),3(11),4,6,8,12,16,18,20-decaene-16,17-diamine?
17-N-cyclohexa-2,4-dien-1-yl-20-phenyl-10-oxa-15-azahexacyclo[13.6.1.02,14.03,11.04,9.018,22]docosa-1(22),2(14),3(11),4,6,8,12,16,18,20-decaene-16,17-diamine has a molecular weight of 465.56 g/mol, XLogP of 8.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 17-N-cyclohexa-2,4-dien-1-yl-20-phenyl-10-oxa-15-azahexacyclo[13.6.1.02,14.03,11.04,9.018,22]docosa-1(22),2(14),3(11),4,6,8,12,16,18,20-decaene-16,17-diamine is sourced from PubChem (CID 144984706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).