5,6-diphenyl-16-(4-phenylquinazolin-2-yl)-4,6,16-triazahexacyclo[11.11.0.02,10.03,7.015,23.017,22]tetracosa-1(24),2(10),3(7),4,8,11,13,15(23),17,19,21-undecaene

C47H29N5 — CID 164589230

IUPAC5,6-diphenyl-16-(4-phenylquinazolin-2-yl)-4,6,16-triazahexacyclo[11.11.0.02,10.03,7.015,23.017,22]tetracosa-1(24),2(10),3(7),4,8,11,13,15(23),17,19,21-undecaene
SMILESc1ccc(-c2nc(-n3c4ccccc4c4cc5c(ccc6ccc7c(nc(-c8ccccc8)n7-c7ccccc7)c65)cc43)nc3ccccc23)cc1
InChIInChI=1S/C47H29N5/c1-4-14-31(15-5-1)44-36-21-10-12-22-39(36)48-47(50-44)52-40-23-13-11-20-35(40)38-29-37-33(28-42(38)52)25-24-30-26-27-41-45(43(30)37)49-46(32-16-6-2-7-17-32)51(41)34-18-8-3-9-19-34/h1-29H
InChIKeyMENIGAKQRKKMMR-UHFFFAOYSA-N
MW663.78 g/mol
LogP11.71
Rot. Bonds4

About 5,6-diphenyl-16-(4-phenylquinazolin-2-yl)-4,6,16-triazahexacyclo[11.11.0.02,10.03,7.015,23.017,22]tetracosa-1(24),2(10),3(7),4,8,11,13,15(23),17,19,21-undecaene

5,6-diphenyl-16-(4-phenylquinazolin-2-yl)-4,6,16-triazahexacyclo[11.11.0.02,10.03,7.015,23.017,22]tetracosa-1(24),2(10),3(7),4,8,11,13,15(23),17,19,21-undecaene (PubChem CID 164589230) has the molecular formula C47H29N5 and a molecular weight of 663.78 g/mol. Its IUPAC name is 5,6-diphenyl-16-(4-phenylquinazolin-2-yl)-4,6,16-triazahexacyclo[11.11.0.02,10.03,7.015,23.017,22]tetracosa-1(24),2(10),3(7),4,8,11,13,15(23),17,19,21-undecaene.

Molecular Properties

Compound Name5,6-diphenyl-16-(4-phenylquinazolin-2-yl)-4,6,16-triazahexacyclo[11.11.0.02,10.03,7.015,23.017,22]tetracosa-1(24),2(10),3(7),4,8,11,13,15(23),17,19,21-undecaene
PubChem CID164589230
Molecular FormulaC47H29N5
Molecular Weight663.78 g/mol
Exact Mass663.24
IUPAC Name5,6-diphenyl-16-(4-phenylquinazolin-2-yl)-4,6,16-triazahexacyclo[11.11.0.02,10.03,7.015,23.017,22]tetracosa-1(24),2(10),3(7),4,8,11,13,15(23),17,19,21-undecaene
SMILESc1ccc(-c2nc(-n3c4ccccc4c4cc5c(ccc6ccc7c(nc(-c8ccccc8)n7-c7ccccc7)c65)cc43)nc3ccccc23)cc1
InChIInChI=1S/C47H29N5/c1-4-14-31(15-5-1)44-36-21-10-12-22-39(36)48-47(50-44)52-40-23-13-11-20-35(40)38-29-37-33(28-42(38)52)25-24-30-26-27-41-45(43(30)37)49-46(32-16-6-2-7-17-32)51(41)34-18-8-3-9-19-34/h1-29H
InChIKeyMENIGAKQRKKMMR-UHFFFAOYSA-N
XLogP11.71
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.78
LogP ≤ 511.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5,6-diphenyl-16-(4-phenylquinazolin-2-yl)-4,6,16-triazahexacyclo[11.11.0.02,10.03,7.015,23.017,22]tetracosa-1(24),2(10),3(7),4,8,11,13,15(23),17,19,21-undecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-phenyl-16-(4-phenylquinazolin-2-yl)-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene
CID 122465729
14-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,7-diphenyl-5,7,14-triazapentacyclo[11.7.0.03,11.04,8.015,20]icosa-1(13),2,4(8),5,9,11,15,17,19-nonaene
CID 177077207
2-[9-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 162263267
7-phenyl-5-[4-(4-phenylphenyl)quinazolin-2-yl]indolo[2,3-b]carbazole
CID 126580211
3-(9-phenylcarbazol-3-yl)-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 90050965
12-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 129149729
6,7-diphenyl-25-(4-phenylquinazolin-2-yl)-5,7,25-triazaheptacyclo[15.11.0.02,10.04,8.011,16.018,26.019,24]octacosa-1(17),2,4(8),5,9,11,13,15,18(26),19,21,23,27-tridecaene
CID 164589093
4,5-diphenyl-15-(4-phenylquinazolin-2-yl)-4,6,15-triazahexacyclo[11.11.0.02,10.03,7.014,22.016,21]tetracosa-1(13),2(10),3(7),5,8,11,14(22),16,18,20,23-undecaene
CID 164589066
22-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene
CID 154597887
2-carbazol-9-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 146374838
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[4-[4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 146176762
15-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-15-azaheptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16(25),17,19(24),20,22-dodecaene
CID 162770146

Frequently Asked Questions

What is the IUPAC name of 5,6-diphenyl-16-(4-phenylquinazolin-2-yl)-4,6,16-triazahexacyclo[11.11.0.02,10.03,7.015,23.017,22]tetracosa-1(24),2(10),3(7),4,8,11,13,15(23),17,19,21-undecaene?
The IUPAC name of 5,6-diphenyl-16-(4-phenylquinazolin-2-yl)-4,6,16-triazahexacyclo[11.11.0.02,10.03,7.015,23.017,22]tetracosa-1(24),2(10),3(7),4,8,11,13,15(23),17,19,21-undecaene (CID 164589230) is 5,6-diphenyl-16-(4-phenylquinazolin-2-yl)-4,6,16-triazahexacyclo[11.11.0.02,10.03,7.015,23.017,22]tetracosa-1(24),2(10),3(7),4,8,11,13,15(23),17,19,21-undecaene.
What is the SMILES notation for 5,6-diphenyl-16-(4-phenylquinazolin-2-yl)-4,6,16-triazahexacyclo[11.11.0.02,10.03,7.015,23.017,22]tetracosa-1(24),2(10),3(7),4,8,11,13,15(23),17,19,21-undecaene?
The canonical SMILES for 5,6-diphenyl-16-(4-phenylquinazolin-2-yl)-4,6,16-triazahexacyclo[11.11.0.02,10.03,7.015,23.017,22]tetracosa-1(24),2(10),3(7),4,8,11,13,15(23),17,19,21-undecaene is c1ccc(-c2nc(-n3c4ccccc4c4cc5c(ccc6ccc7c(nc(-c8ccccc8)n7-c7ccccc7)c65)cc43)nc3ccccc23)cc1.
What is the InChIKey of 5,6-diphenyl-16-(4-phenylquinazolin-2-yl)-4,6,16-triazahexacyclo[11.11.0.02,10.03,7.015,23.017,22]tetracosa-1(24),2(10),3(7),4,8,11,13,15(23),17,19,21-undecaene?
The InChIKey is MENIGAKQRKKMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N5/c1-4-14-31(15-5-1)44-36-21-10-12-22-39(36)48-47(50-44)52-40-23-13-11-20-35(40)38-29-37-33(28-42(38)52)25-24-30-26-27-41-45(43(30)37)49-46(32-16-6-2-7-17-32)51(41)34-18-8-3-9-19-34/h1-29H.
What are the key properties of 5,6-diphenyl-16-(4-phenylquinazolin-2-yl)-4,6,16-triazahexacyclo[11.11.0.02,10.03,7.015,23.017,22]tetracosa-1(24),2(10),3(7),4,8,11,13,15(23),17,19,21-undecaene?
5,6-diphenyl-16-(4-phenylquinazolin-2-yl)-4,6,16-triazahexacyclo[11.11.0.02,10.03,7.015,23.017,22]tetracosa-1(24),2(10),3(7),4,8,11,13,15(23),17,19,21-undecaene has a molecular weight of 663.78 g/mol, XLogP of 11.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diphenyl-16-(4-phenylquinazolin-2-yl)-4,6,16-triazahexacyclo[11.11.0.02,10.03,7.015,23.017,22]tetracosa-1(24),2(10),3(7),4,8,11,13,15(23),17,19,21-undecaene is sourced from PubChem (CID 164589230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).