9-(2,4-diphenyl-1,2-dihydropyridin-6-yl)-25-phenyl-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.019,24.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),19,21,23,27,29,31-pentadecaene

C53H35N3 — CID 135162977

IUPAC9-(2,4-diphenyl-1,2-dihydropyridin-6-yl)-25-phenyl-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.019,24.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),19,21,23,27,29,31-pentadecaene
SMILESC1=C(c2ccccc2)C=C(n2c3ccccc3c3c4c5ccccc5c5c(c6ccccc6n5-c5ccccc5)c4c4ccccc4c32)NC1c1ccccc1
InChIInChI=1S/C53H35N3/c1-4-18-34(19-5-1)36-32-44(35-20-6-2-7-21-35)54-47(33-36)56-46-31-17-15-29-43(46)51-49-38-24-10-12-26-40(38)52-50(48(49)39-25-11-13-27-41(39)53(51)56)42-28-14-16-30-45(42)55(52)37-22-8-3-9-23-37/h1-33,44,54H
InChIKeyVUFKRFSBLPKUNT-UHFFFAOYSA-N
MW713.88 g/mol
LogP13.58
Rot. Bonds4

About 9-(2,4-diphenyl-1,2-dihydropyridin-6-yl)-25-phenyl-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.019,24.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),19,21,23,27,29,31-pentadecaene

9-(2,4-diphenyl-1,2-dihydropyridin-6-yl)-25-phenyl-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.019,24.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),19,21,23,27,29,31-pentadecaene (PubChem CID 135162977) has the molecular formula C53H35N3 and a molecular weight of 713.88 g/mol. Its IUPAC name is 9-(2,4-diphenyl-1,2-dihydropyridin-6-yl)-25-phenyl-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.019,24.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),19,21,23,27,29,31-pentadecaene.

Molecular Properties

Compound Name9-(2,4-diphenyl-1,2-dihydropyridin-6-yl)-25-phenyl-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.019,24.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),19,21,23,27,29,31-pentadecaene
PubChem CID135162977
Molecular FormulaC53H35N3
Molecular Weight713.88 g/mol
Exact Mass713.28
IUPAC Name9-(2,4-diphenyl-1,2-dihydropyridin-6-yl)-25-phenyl-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.019,24.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),19,21,23,27,29,31-pentadecaene
SMILESC1=C(c2ccccc2)C=C(n2c3ccccc3c3c4c5ccccc5c5c(c6ccccc6n5-c5ccccc5)c4c4ccccc4c32)NC1c1ccccc1
InChIInChI=1S/C53H35N3/c1-4-18-34(19-5-1)36-32-44(35-20-6-2-7-21-35)54-47(33-36)56-46-31-17-15-29-43(46)51-49-38-24-10-12-26-40(38)52-50(48(49)39-25-11-13-27-41(39)53(51)56)42-28-14-16-30-45(42)55(52)37-22-8-3-9-23-37/h1-33,44,54H
InChIKeyVUFKRFSBLPKUNT-UHFFFAOYSA-N
XLogP13.58
TPSA21.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.88
LogP ≤ 513.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9-(2,4-diphenyl-1,2-dihydropyridin-6-yl)-25-phenyl-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.019,24.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),19,21,23,27,29,31-pentadecaene with MolForge

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Related Compounds

9-[3-(4,6-diphenyl-1,2-dihydropyridin-2-yl)phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 135163040
9-[3-(6-naphthalen-2-yl-4-phenyl-1,2-dihydropyridin-2-yl)phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 135162788
13'-(2,4-diphenyl-1,2-dihydropyridin-6-yl)-10-phenylspiro[acridine-9,7'-thiochromeno[2,3-a]carbazole]
CID 147510232
9-[3-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]carbazole
CID 130180910
9-phenyl-19-[4-[4-phenyl-6-(4-phenylphenyl)-2H-pyridin-1-id-2-yl]phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 145280498
9-[4-(3,5-diphenylcyclohexa-1,3-dien-1-yl)phenyl]-19-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 135162830
9-phenyl-19-[4-[6-phenyl-2-(4-phenylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 145280624
5-(2,4-diphenyl-1,2-dihydropyridin-6-yl)-15,15-dimethyl-24-thia-5-azaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene
CID 118312781
5-[3-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-12H-indolo[3,2-c]carbazole
CID 71135374
9-phenyl-18-(5-phenylnaphthalen-1-yl)-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 170180072
6-[9-[3-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole
CID 118587049
18-phenyl-9,21-bis(4-phenylphenyl)-9,18,21-triazaheptacyclo[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 138729733

Frequently Asked Questions

What is the IUPAC name of 9-(2,4-diphenyl-1,2-dihydropyridin-6-yl)-25-phenyl-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.019,24.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),19,21,23,27,29,31-pentadecaene?
The IUPAC name of 9-(2,4-diphenyl-1,2-dihydropyridin-6-yl)-25-phenyl-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.019,24.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),19,21,23,27,29,31-pentadecaene (CID 135162977) is 9-(2,4-diphenyl-1,2-dihydropyridin-6-yl)-25-phenyl-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.019,24.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),19,21,23,27,29,31-pentadecaene.
What is the SMILES notation for 9-(2,4-diphenyl-1,2-dihydropyridin-6-yl)-25-phenyl-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.019,24.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),19,21,23,27,29,31-pentadecaene?
The canonical SMILES for 9-(2,4-diphenyl-1,2-dihydropyridin-6-yl)-25-phenyl-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.019,24.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),19,21,23,27,29,31-pentadecaene is C1=C(c2ccccc2)C=C(n2c3ccccc3c3c4c5ccccc5c5c(c6ccccc6n5-c5ccccc5)c4c4ccccc4c32)NC1c1ccccc1.
What is the InChIKey of 9-(2,4-diphenyl-1,2-dihydropyridin-6-yl)-25-phenyl-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.019,24.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),19,21,23,27,29,31-pentadecaene?
The InChIKey is VUFKRFSBLPKUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N3/c1-4-18-34(19-5-1)36-32-44(35-20-6-2-7-21-35)54-47(33-36)56-46-31-17-15-29-43(46)51-49-38-24-10-12-26-40(38)52-50(48(49)39-25-11-13-27-41(39)53(51)56)42-28-14-16-30-45(42)55(52)37-22-8-3-9-23-37/h1-33,44,54H.
What are the key properties of 9-(2,4-diphenyl-1,2-dihydropyridin-6-yl)-25-phenyl-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.019,24.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),19,21,23,27,29,31-pentadecaene?
9-(2,4-diphenyl-1,2-dihydropyridin-6-yl)-25-phenyl-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.019,24.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),19,21,23,27,29,31-pentadecaene has a molecular weight of 713.88 g/mol, XLogP of 13.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,4-diphenyl-1,2-dihydropyridin-6-yl)-25-phenyl-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.019,24.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),19,21,23,27,29,31-pentadecaene is sourced from PubChem (CID 135162977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).