(3Z)-penta-1,3-diene;18-phenyl-10-(6-phenyl-3-pyridinyl)-10,18-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,16,19-nonaene;prop-1-ene

C43H37N3 — CID 144645043

IUPAC(3Z)-penta-1,3-diene;18-phenyl-10-(6-phenyl-3-pyridinyl)-10,18-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,16,19-nonaene;prop-1-ene
SMILESC=C/C=C\C.C=CC.c1ccc(-c2ccc(-n3c4ccccc4c4cc5cc6c(ccn6-c6ccccc6)cc5cc43)cn2)cc1
InChIInChI=1S/C35H23N3.C5H8.C3H6/c1-3-9-24(10-4-1)32-16-15-29(23-36-32)38-33-14-8-7-13-30(33)31-20-27-21-34-25(19-26(27)22-35(31)38)17-18-37(34)28-11-5-2-6-12-28;1-3-5-4-2;1-3-2/h1-23H;3-5H,1H2,2H3;3H,1H2,2H3/b;5-4-;
InChIKeySKGFPBULQYJIFZ-FXHNQCOHSA-N
MW595.79 g/mol
LogP11.88
Rot. Bonds4

About (3Z)-penta-1,3-diene;18-phenyl-10-(6-phenyl-3-pyridinyl)-10,18-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,16,19-nonaene;prop-1-ene

(3Z)-penta-1,3-diene;18-phenyl-10-(6-phenyl-3-pyridinyl)-10,18-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,16,19-nonaene;prop-1-ene (PubChem CID 144645043) has the molecular formula C43H37N3 and a molecular weight of 595.79 g/mol. Its IUPAC name is (3Z)-penta-1,3-diene;18-phenyl-10-(6-phenyl-3-pyridinyl)-10,18-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,16,19-nonaene;prop-1-ene.

Molecular Properties

Compound Name(3Z)-penta-1,3-diene;18-phenyl-10-(6-phenyl-3-pyridinyl)-10,18-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,16,19-nonaene;prop-1-ene
PubChem CID144645043
Molecular FormulaC43H37N3
Molecular Weight595.79 g/mol
Exact Mass595.30
IUPAC Name(3Z)-penta-1,3-diene;18-phenyl-10-(6-phenyl-3-pyridinyl)-10,18-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,16,19-nonaene;prop-1-ene
SMILESC=C/C=C\C.C=CC.c1ccc(-c2ccc(-n3c4ccccc4c4cc5cc6c(ccn6-c6ccccc6)cc5cc43)cn2)cc1
InChIInChI=1S/C35H23N3.C5H8.C3H6/c1-3-9-24(10-4-1)32-16-15-29(23-36-32)38-33-14-8-7-13-30(33)31-20-27-21-34-25(19-26(27)22-35(31)38)17-18-37(34)28-11-5-2-6-12-28;1-3-5-4-2;1-3-2/h1-23H;3-5H,1H2,2H3;3H,1H2,2H3/b;5-4-;
InChIKeySKGFPBULQYJIFZ-FXHNQCOHSA-N
XLogP11.88
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.79
LogP ≤ 511.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3Z)-penta-1,3-diene;18-phenyl-10-(6-phenyl-3-pyridinyl)-10,18-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,16,19-nonaene;prop-1-ene with MolForge

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Related Compounds

10-(4-carbazol-9-ylphenyl)-18-phenyl-10,18-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,16,19-nonaene
CID 90222800
(3Z)-penta-1,3-diene;5-phenyl-3-[5-(10-phenylanthracen-9-yl)-2-pyridinyl]benzo[b]carbazole
CID 142353409
18-phenyl-10-(5-phenylpyrimidin-2-yl)-10,18-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,16,19-nonaene
CID 90222785
10-(2,6-dipyridin-2-yl-4-pyridinyl)-16-phenyl-10,16-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene
CID 90223602
10-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-16-phenyl-10,16-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene
CID 90223665
16-(3,5-diphenylphenyl)-10-phenyl-10,16-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene
CID 90223381
ethane;(2Z,4Z)-hexa-2,4-diene;20-phenyl-7-(4-pyridin-2-ylphenyl)-7,20-diazapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),5,9,11,14,16,18-nonaene;prop-1-ene;1,2-xylene
CID 144645171
18-phenyl-10-(2-phenylpyrimidin-4-yl)-10,18-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,16,19-nonaene
CID 90222807
18-phenyl-10-(3-pyridin-4-ylphenyl)-10,18-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,16,19-nonaene
CID 90222805
16-phenyl-10-(3-pyridin-4-ylphenyl)-10,16-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene
CID 90223553
10-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-16-phenyl-10,16-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene
CID 90223606
14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,18-diphenyl-10,14,18-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1(13),2,4,6,8,11,15(23),16,19,21-decaene
CID 90267307

Frequently Asked Questions

What is the IUPAC name of (3Z)-penta-1,3-diene;18-phenyl-10-(6-phenyl-3-pyridinyl)-10,18-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,16,19-nonaene;prop-1-ene?
The IUPAC name of (3Z)-penta-1,3-diene;18-phenyl-10-(6-phenyl-3-pyridinyl)-10,18-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,16,19-nonaene;prop-1-ene (CID 144645043) is (3Z)-penta-1,3-diene;18-phenyl-10-(6-phenyl-3-pyridinyl)-10,18-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,16,19-nonaene;prop-1-ene.
What is the SMILES notation for (3Z)-penta-1,3-diene;18-phenyl-10-(6-phenyl-3-pyridinyl)-10,18-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,16,19-nonaene;prop-1-ene?
The canonical SMILES for (3Z)-penta-1,3-diene;18-phenyl-10-(6-phenyl-3-pyridinyl)-10,18-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,16,19-nonaene;prop-1-ene is C=C/C=C\C.C=CC.c1ccc(-c2ccc(-n3c4ccccc4c4cc5cc6c(ccn6-c6ccccc6)cc5cc43)cn2)cc1.
What is the InChIKey of (3Z)-penta-1,3-diene;18-phenyl-10-(6-phenyl-3-pyridinyl)-10,18-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,16,19-nonaene;prop-1-ene?
The InChIKey is SKGFPBULQYJIFZ-FXHNQCOHSA-N. The full InChI is InChI=1S/C35H23N3.C5H8.C3H6/c1-3-9-24(10-4-1)32-16-15-29(23-36-32)38-33-14-8-7-13-30(33)31-20-27-21-34-25(19-26(27)22-35(31)38)17-18-37(34)28-11-5-2-6-12-28;1-3-5-4-2;1-3-2/h1-23H;3-5H,1H2,2H3;3H,1H2,2H3/b;5-4-;.
What are the key properties of (3Z)-penta-1,3-diene;18-phenyl-10-(6-phenyl-3-pyridinyl)-10,18-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,16,19-nonaene;prop-1-ene?
(3Z)-penta-1,3-diene;18-phenyl-10-(6-phenyl-3-pyridinyl)-10,18-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,16,19-nonaene;prop-1-ene has a molecular weight of 595.79 g/mol, XLogP of 11.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-penta-1,3-diene;18-phenyl-10-(6-phenyl-3-pyridinyl)-10,18-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,16,19-nonaene;prop-1-ene is sourced from PubChem (CID 144645043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).