11-(1-naphthalen-1-ylbenzo[f]quinazolin-3-yl)-19-(3-phenylphenyl)-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;11-phenyl-19-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;11-phenyl-19-(2-phenylquinazolin-6-yl)-8-pyridin-4-yl-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20,22,24,26-dodecaene

C163H97N13S3 — CID 158831025

About 11-(1-naphthalen-1-ylbenzo[f]quinazolin-3-yl)-19-(3-phenylphenyl)-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;11-phenyl-19-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;11-phenyl-19-(2-phenylquinazolin-6-yl)-8-pyridin-4-yl-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20,22,24,26-dodecaene

11-(1-naphthalen-1-ylbenzo[f]quinazolin-3-yl)-19-(3-phenylphenyl)-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;11-phenyl-19-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;11-phenyl-19-(2-phenylquinazolin-6-yl)-8-pyridin-4-yl-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20,22,24,26-dodecaene (PubChem CID 158831025) has the molecular formula C163H97N13S3 and a molecular weight of 2333.86 g/mol. Its IUPAC name is 11-(1-naphthalen-1-ylbenzo[f]quinazolin-3-yl)-19-(3-phenylphenyl)-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;11-phenyl-19-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;11-phenyl-19-(2-phenylquinazolin-6-yl)-8-pyridin-4-yl-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20,22,24,26-dodecaene.

Molecular Properties

• Compound Name: 11-(1-naphthalen-1-ylbenzo[f]quinazolin-3-yl)-19-(3-phenylphenyl)-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;11-phenyl-19-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;11-phenyl-19-(2-phenylquinazolin-6-yl)-8-pyridin-4-yl-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20,22,24,26-dodecaene
• PubChem CID: 158831025
• Molecular Formula: C163H97N13S3
• Molecular Weight: 2333.86 g/mol
• Exact Mass: 2331.72
• IUPAC Name: 11-(1-naphthalen-1-ylbenzo[f]quinazolin-3-yl)-19-(3-phenylphenyl)-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;11-phenyl-19-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;11-phenyl-19-(2-phenylquinazolin-6-yl)-8-pyridin-4-yl-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20,22,24,26-dodecaene
• SMILES: c1ccc(-c2cccc(-n3c4ccccc4c4cc5c(cc43)sc3cc4c(cc35)c3ccccc3n4-c3nc(-c4cccc5ccccc45)c4c(ccc5ccccc54)n3)c2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc7c(cc65)sc5cc6c(cc57)c5ccccc5n6-c5ccccc5)cc4)cc3)nc3ccccc23)cc1.c1ccc(-c2ncc3cc(-n4c5ccccc5c5cc6c(cc54)sc4cc5c(cc46)c4ccc(-c6ccncc6)cc4n5-c4ccccc4)ccc3n2)cc1
• InChI: InChI=1S/C58H34N4S.C56H34N4S.C49H29N5S/c1-2-14-35(15-3-1)38-19-12-20-39(30-38)61-50-26-10-8-23-42(50)45-31-47-48-32-46-43-24-9-11-27-51(43)62(53(46)34-55(48)63-54(47)33-52(45)61)58-59-49-29-28-37-17-5-7-22-41(37)56(49)57(60-58)44-25-13-18-36-16-4-6-21-40(36)44;1-3-13-37(14-4-1)55-43-19-7-10-20-48(43)57-56(58-55)38-25-23-35(24-26-38)36-27-29-40(30-28-36)60-50-22-12-9-18-42(50)45-32-47-46-31-44-41-17-8-11-21-49(41)59(39-15-5-2-6-16-39)51(44)33-53(46)61-54(47)34-52(45)60;1-3-9-31(10-4-1)49-51-29-33-23-35(16-18-42(33)52-49)54-43-14-8-7-13-36(43)38-25-40-41-26-39-37-17-15-32(30-19-21-50-22-20-30)24-44(37)53(34-11-5-2-6-12-34)45(39)27-47(41)55-48(40)28-46(38)54/h1-34H;1-34H;1-29H
• InChIKey: IXAVSXVGUXEPIH-UHFFFAOYSA-N
• XLogP: 43.95
• TPSA: 119.81 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 13
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2333.86
LogP ≤ 5	43.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 11-(1-naphthalen-1-ylbenzo[f]quinazolin-3-yl)-19-(3-phenylphenyl)-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;11-phenyl-19-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;11-phenyl-19-(2-phenylquinazolin-6-yl)-8-pyridin-4-yl-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20,22,24,26-dodecaene?

The IUPAC name of 11-(1-naphthalen-1-ylbenzo[f]quinazolin-3-yl)-19-(3-phenylphenyl)-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;11-phenyl-19-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;11-phenyl-19-(2-phenylquinazolin-6-yl)-8-pyridin-4-yl-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20,22,24,26-dodecaene (CID 158831025) is 11-(1-naphthalen-1-ylbenzo[f]quinazolin-3-yl)-19-(3-phenylphenyl)-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;11-phenyl-19-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;11-phenyl-19-(2-phenylquinazolin-6-yl)-8-pyridin-4-yl-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20,22,24,26-dodecaene.

What is the SMILES notation for 11-(1-naphthalen-1-ylbenzo[f]quinazolin-3-yl)-19-(3-phenylphenyl)-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;11-phenyl-19-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;11-phenyl-19-(2-phenylquinazolin-6-yl)-8-pyridin-4-yl-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20,22,24,26-dodecaene?

The canonical SMILES for 11-(1-naphthalen-1-ylbenzo[f]quinazolin-3-yl)-19-(3-phenylphenyl)-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;11-phenyl-19-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;11-phenyl-19-(2-phenylquinazolin-6-yl)-8-pyridin-4-yl-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20,22,24,26-dodecaene is c1ccc(-c2cccc(-n3c4ccccc4c4cc5c(cc43)sc3cc4c(cc35)c3ccccc3n4-c3nc(-c4cccc5ccccc45)c4c(ccc5ccccc54)n3)c2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc7c(cc65)sc5cc6c(cc57)c5ccccc5n6-c5ccccc5)cc4)cc3)nc3ccccc23)cc1.c1ccc(-c2ncc3cc(-n4c5ccccc5c5cc6c(cc54)sc4cc5c(cc46)c4ccc(-c6ccncc6)cc4n5-c4ccccc4)ccc3n2)cc1.

What is the InChIKey of 11-(1-naphthalen-1-ylbenzo[f]quinazolin-3-yl)-19-(3-phenylphenyl)-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;11-phenyl-19-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;11-phenyl-19-(2-phenylquinazolin-6-yl)-8-pyridin-4-yl-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20,22,24,26-dodecaene?

The InChIKey is IXAVSXVGUXEPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34N4S.C56H34N4S.C49H29N5S/c1-2-14-35(15-3-1)38-19-12-20-39(30-38)61-50-26-10-8-23-42(50)45-31-47-48-32-46-43-24-9-11-27-51(43)62(53(46)34-55(48)63-54(47)33-52(45)61)58-59-49-29-28-37-17-5-7-22-41(37)56(49)57(60-58)44-25-13-18-36-16-4-6-21-40(36)44;1-3-13-37(14-4-1)55-43-19-7-10-20-48(43)57-56(58-55)38-25-23-35(24-26-38)36-27-29-40(30-28-36)60-50-22-12-9-18-42(50)45-32-47-46-31-44-41-17-8-11-21-49(41)59(39-15-5-2-6-16-39)51(44)33-53(46)61-54(47)34-52(45)60;1-3-9-31(10-4-1)49-51-29-33-23-35(16-18-42(33)52-49)54-43-14-8-7-13-36(43)38-25-40-41-26-39-37-17-15-32(30-19-21-50-22-20-30)24-44(37)53(34-11-5-2-6-12-34)45(39)27-47(41)55-48(40)28-46(38)54/h1-34H;1-34H;1-29H.

What are the key properties of 11-(1-naphthalen-1-ylbenzo[f]quinazolin-3-yl)-19-(3-phenylphenyl)-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;11-phenyl-19-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;11-phenyl-19-(2-phenylquinazolin-6-yl)-8-pyridin-4-yl-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20,22,24,26-dodecaene?

11-(1-naphthalen-1-ylbenzo[f]quinazolin-3-yl)-19-(3-phenylphenyl)-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;11-phenyl-19-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;11-phenyl-19-(2-phenylquinazolin-6-yl)-8-pyridin-4-yl-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20,22,24,26-dodecaene has a molecular weight of 2333.86 g/mol, XLogP of 43.95, 13 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 11-(1-naphthalen-1-ylbenzo[f]quinazolin-3-yl)-19-(3-phenylphenyl)-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;11-phenyl-19-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;11-phenyl-19-(2-phenylquinazolin-6-yl)-8-pyridin-4-yl-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20,22,24,26-dodecaene is sourced from PubChem (CID 158831025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).