18-phenyl-19-[(Z)-prop-1-enyl]-9-pyridin-2-yl-23-oxa-4,9,18-triazahexacyclo[11.10.0.02,10.03,8.014,22.017,21]tricosa-1(13),2(10),3(8),4,6,11,14(22),15,17(21),19-decaen-20-amine

C33H23N5O — CID 144604400

IUPAC18-phenyl-19-[(Z)-prop-1-enyl]-9-pyridin-2-yl-23-oxa-4,9,18-triazahexacyclo[11.10.0.02,10.03,8.014,22.017,21]tricosa-1(13),2(10),3(8),4,6,11,14(22),15,17(21),19-decaen-20-amine
SMILESC/C=C\c1c(N)c2c3oc4c(ccc5c4c4ncccc4n5-c4ccccn4)c3ccc2n1-c1ccccc1
InChIInChI=1S/C33H23N5O/c1-2-9-25-30(34)28-23(37(25)20-10-4-3-5-11-20)16-14-21-22-15-17-24-29(33(22)39-32(21)28)31-26(12-8-19-36-31)38(24)27-13-6-7-18-35-27/h2-19H,34H2,1H3/b9-2-
InChIKeyLOIGPPSOUVYXHK-MBXJOHMKSA-N
MW505.58 g/mol
LogP8.03
Rot. Bonds3

About 18-phenyl-19-[(Z)-prop-1-enyl]-9-pyridin-2-yl-23-oxa-4,9,18-triazahexacyclo[11.10.0.02,10.03,8.014,22.017,21]tricosa-1(13),2(10),3(8),4,6,11,14(22),15,17(21),19-decaen-20-amine

18-phenyl-19-[(Z)-prop-1-enyl]-9-pyridin-2-yl-23-oxa-4,9,18-triazahexacyclo[11.10.0.02,10.03,8.014,22.017,21]tricosa-1(13),2(10),3(8),4,6,11,14(22),15,17(21),19-decaen-20-amine (PubChem CID 144604400) has the molecular formula C33H23N5O and a molecular weight of 505.58 g/mol. Its IUPAC name is 18-phenyl-19-[(Z)-prop-1-enyl]-9-pyridin-2-yl-23-oxa-4,9,18-triazahexacyclo[11.10.0.02,10.03,8.014,22.017,21]tricosa-1(13),2(10),3(8),4,6,11,14(22),15,17(21),19-decaen-20-amine.

Molecular Properties

Compound Name18-phenyl-19-[(Z)-prop-1-enyl]-9-pyridin-2-yl-23-oxa-4,9,18-triazahexacyclo[11.10.0.02,10.03,8.014,22.017,21]tricosa-1(13),2(10),3(8),4,6,11,14(22),15,17(21),19-decaen-20-amine
PubChem CID144604400
Molecular FormulaC33H23N5O
Molecular Weight505.58 g/mol
Exact Mass505.19
IUPAC Name18-phenyl-19-[(Z)-prop-1-enyl]-9-pyridin-2-yl-23-oxa-4,9,18-triazahexacyclo[11.10.0.02,10.03,8.014,22.017,21]tricosa-1(13),2(10),3(8),4,6,11,14(22),15,17(21),19-decaen-20-amine
SMILESC/C=C\c1c(N)c2c3oc4c(ccc5c4c4ncccc4n5-c4ccccn4)c3ccc2n1-c1ccccc1
InChIInChI=1S/C33H23N5O/c1-2-9-25-30(34)28-23(37(25)20-10-4-3-5-11-20)16-14-21-22-15-17-24-29(33(22)39-32(21)28)31-26(12-8-19-36-31)38(24)27-13-6-7-18-35-27/h2-19H,34H2,1H3/b9-2-
InChIKeyLOIGPPSOUVYXHK-MBXJOHMKSA-N
XLogP8.03
TPSA74.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.58
LogP ≤ 58.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 18-phenyl-19-[(Z)-prop-1-enyl]-9-pyridin-2-yl-23-oxa-4,9,18-triazahexacyclo[11.10.0.02,10.03,8.014,22.017,21]tricosa-1(13),2(10),3(8),4,6,11,14(22),15,17(21),19-decaen-20-amine with MolForge

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Related Compounds

9,18-diphenyl-19-[(Z)-prop-1-enyl]-23-thia-9,18-diazahexacyclo[11.10.0.02,10.03,8.014,22.017,21]tricosa-1(13),2(10),3,5,7,11,14(22),15,17(21),19-decaen-20-amine
CID 144604454
N-[(1Z,3Z)-1-[6-(6-phenyl-15-oxa-6,11,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaen-24-yl)-2-pyridinyl]penta-1,3-dienyl]methanimine
CID 134462173
9-phenyl-14-pyridin-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 58038408
2-[(Z)-prop-1-enyl]-5-(2-pyridin-2-ylphenyl)-1-[3-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]phenyl]indol-3-amine
CID 144837100
6-(5a,9a-dihydro-[1]benzofuro[3,2-b]pyridin-8-yl)-24-phenyl-15-oxa-6,11,19,24-tetrazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene
CID 144670262
1-[3-[2-(3-phenylphenyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]-2-[(Z)-prop-1-enyl]indol-3-amine
CID 130343527
3-N,1-diphenyl-6-pyridin-2-ylpyrrolo[3,2-c]carbazole-2,3-diamine;toluene
CID 144645855
9-pyridin-2-ylcarbazol-3-amine
CID 135208084
6-phenyl-24-(9-phenylcarbazol-3-yl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 138736677
21-phenyl-18-pyridin-2-yl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118635175
1-ethenyl-3-(3-phenylphenyl)-2-prop-1-enyl-[1]benzofuro[2,3-e]indole
CID 123383363
5-phenyl-9-(9-phenylcarbazol-2-yl)pyrido[3,2-b]indole
CID 118587992

Frequently Asked Questions

What is the IUPAC name of 18-phenyl-19-[(Z)-prop-1-enyl]-9-pyridin-2-yl-23-oxa-4,9,18-triazahexacyclo[11.10.0.02,10.03,8.014,22.017,21]tricosa-1(13),2(10),3(8),4,6,11,14(22),15,17(21),19-decaen-20-amine?
The IUPAC name of 18-phenyl-19-[(Z)-prop-1-enyl]-9-pyridin-2-yl-23-oxa-4,9,18-triazahexacyclo[11.10.0.02,10.03,8.014,22.017,21]tricosa-1(13),2(10),3(8),4,6,11,14(22),15,17(21),19-decaen-20-amine (CID 144604400) is 18-phenyl-19-[(Z)-prop-1-enyl]-9-pyridin-2-yl-23-oxa-4,9,18-triazahexacyclo[11.10.0.02,10.03,8.014,22.017,21]tricosa-1(13),2(10),3(8),4,6,11,14(22),15,17(21),19-decaen-20-amine.
What is the SMILES notation for 18-phenyl-19-[(Z)-prop-1-enyl]-9-pyridin-2-yl-23-oxa-4,9,18-triazahexacyclo[11.10.0.02,10.03,8.014,22.017,21]tricosa-1(13),2(10),3(8),4,6,11,14(22),15,17(21),19-decaen-20-amine?
The canonical SMILES for 18-phenyl-19-[(Z)-prop-1-enyl]-9-pyridin-2-yl-23-oxa-4,9,18-triazahexacyclo[11.10.0.02,10.03,8.014,22.017,21]tricosa-1(13),2(10),3(8),4,6,11,14(22),15,17(21),19-decaen-20-amine is C/C=C\c1c(N)c2c3oc4c(ccc5c4c4ncccc4n5-c4ccccn4)c3ccc2n1-c1ccccc1.
What is the InChIKey of 18-phenyl-19-[(Z)-prop-1-enyl]-9-pyridin-2-yl-23-oxa-4,9,18-triazahexacyclo[11.10.0.02,10.03,8.014,22.017,21]tricosa-1(13),2(10),3(8),4,6,11,14(22),15,17(21),19-decaen-20-amine?
The InChIKey is LOIGPPSOUVYXHK-MBXJOHMKSA-N. The full InChI is InChI=1S/C33H23N5O/c1-2-9-25-30(34)28-23(37(25)20-10-4-3-5-11-20)16-14-21-22-15-17-24-29(33(22)39-32(21)28)31-26(12-8-19-36-31)38(24)27-13-6-7-18-35-27/h2-19H,34H2,1H3/b9-2-.
What are the key properties of 18-phenyl-19-[(Z)-prop-1-enyl]-9-pyridin-2-yl-23-oxa-4,9,18-triazahexacyclo[11.10.0.02,10.03,8.014,22.017,21]tricosa-1(13),2(10),3(8),4,6,11,14(22),15,17(21),19-decaen-20-amine?
18-phenyl-19-[(Z)-prop-1-enyl]-9-pyridin-2-yl-23-oxa-4,9,18-triazahexacyclo[11.10.0.02,10.03,8.014,22.017,21]tricosa-1(13),2(10),3(8),4,6,11,14(22),15,17(21),19-decaen-20-amine has a molecular weight of 505.58 g/mol, XLogP of 8.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 18-phenyl-19-[(Z)-prop-1-enyl]-9-pyridin-2-yl-23-oxa-4,9,18-triazahexacyclo[11.10.0.02,10.03,8.014,22.017,21]tricosa-1(13),2(10),3(8),4,6,11,14(22),15,17(21),19-decaen-20-amine is sourced from PubChem (CID 144604400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).