14,18-diphenyl-3-(4-phenylquinazolin-2-yl)-3,14,18-triazahexacyclo[11.10.0.02,10.04,9.015,23.017,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,19,21-decaene

C46H29N5 — CID 90267141

IUPAC14,18-diphenyl-3-(4-phenylquinazolin-2-yl)-3,14,18-triazahexacyclo[11.10.0.02,10.04,9.015,23.017,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,19,21-decaene
SMILESc1ccc(-c2nc(-n3c4ccccc4c4ccc5c(c6cc7ccn(-c8ccccc8)c7cc6n5-c5ccccc5)c43)nc3ccccc23)cc1
InChIInChI=1S/C46H29N5/c1-4-14-30(15-5-1)44-36-21-10-12-22-38(36)47-46(48-44)51-39-23-13-11-20-34(39)35-24-25-40-43(45(35)51)37-28-31-26-27-49(32-16-6-2-7-17-32)41(31)29-42(37)50(40)33-18-8-3-9-19-33/h1-29H
InChIKeyYLEQCKWUGGUGFP-UHFFFAOYSA-N
MW651.77 g/mol
LogP11.43
Rot. Bonds4

About 14,18-diphenyl-3-(4-phenylquinazolin-2-yl)-3,14,18-triazahexacyclo[11.10.0.02,10.04,9.015,23.017,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,19,21-decaene

14,18-diphenyl-3-(4-phenylquinazolin-2-yl)-3,14,18-triazahexacyclo[11.10.0.02,10.04,9.015,23.017,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,19,21-decaene (PubChem CID 90267141) has the molecular formula C46H29N5 and a molecular weight of 651.77 g/mol. Its IUPAC name is 14,18-diphenyl-3-(4-phenylquinazolin-2-yl)-3,14,18-triazahexacyclo[11.10.0.02,10.04,9.015,23.017,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,19,21-decaene.

Molecular Properties

Compound Name14,18-diphenyl-3-(4-phenylquinazolin-2-yl)-3,14,18-triazahexacyclo[11.10.0.02,10.04,9.015,23.017,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,19,21-decaene
PubChem CID90267141
Molecular FormulaC46H29N5
Molecular Weight651.77 g/mol
Exact Mass651.24
IUPAC Name14,18-diphenyl-3-(4-phenylquinazolin-2-yl)-3,14,18-triazahexacyclo[11.10.0.02,10.04,9.015,23.017,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,19,21-decaene
SMILESc1ccc(-c2nc(-n3c4ccccc4c4ccc5c(c6cc7ccn(-c8ccccc8)c7cc6n5-c5ccccc5)c43)nc3ccccc23)cc1
InChIInChI=1S/C46H29N5/c1-4-14-30(15-5-1)44-36-21-10-12-22-38(36)47-46(48-44)51-39-23-13-11-20-34(39)35-24-25-40-43(45(35)51)37-28-31-26-27-49(32-16-6-2-7-17-32)41(31)29-42(37)50(40)33-18-8-3-9-19-33/h1-29H
InChIKeyYLEQCKWUGGUGFP-UHFFFAOYSA-N
XLogP11.43
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.77
LogP ≤ 511.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 14,18-diphenyl-3-(4-phenylquinazolin-2-yl)-3,14,18-triazahexacyclo[11.10.0.02,10.04,9.015,23.017,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,19,21-decaene with MolForge

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Related Compounds

19-phenyl-23-(4-phenylquinazolin-2-yl)-9-thia-19,23-diazahexacyclo[11.10.0.02,10.03,8.014,22.016,20]tricosa-1(13),2(10),3,5,7,11,14(22),15,17,20-decaene
CID 90267553
9,17-diphenyl-23-[3-(4-phenylquinazolin-2-yl)phenyl]-9,17,23-triazahexacyclo[11.10.0.02,10.03,8.014,22.016,20]tricosa-1(13),2(10),3,5,7,11,14(22),15,18,20-decaene
CID 90267302
23-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-9,19-diphenyl-9,19,23-triazahexacyclo[11.10.0.02,10.03,8.014,22.016,20]tricosa-1(13),2(10),3,5,7,11,14(22),15,17,20-decaene
CID 90267121
11-[4-(3,5-diphenylphenyl)quinazolin-2-yl]-7-phenyl-7,11-diazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene
CID 90231145
11-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-7-phenyl-7,11-diazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene
CID 144645582
9-phenyl-18-(4-phenylquinazolin-2-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 118672648
17-phenyl-23-[4-(4-phenylphenyl)quinazolin-2-yl]-9-thia-17,23-diazahexacyclo[11.10.0.02,10.03,8.014,22.016,20]tricosa-1(13),2(10),3,5,7,11,14(22),15,18,20-decaene
CID 90267255
4-phenyl-11-(4-phenylquinazolin-2-yl)-4,11-diazapentacyclo[10.8.0.02,10.03,7.013,18]icosa-1(12),2(10),3(7),5,8,13,15,17,19-nonaene
CID 144645631
16-(9-phenylcarbazol-3-yl)-20-(4-phenylquinazolin-2-yl)-20,22-diazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-1(21),2,4,6,8,10,12,14(19),15,17-decaene
CID 142477156
14-(9-phenylcarbazol-2-yl)-12-(4-phenylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 134552537
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole
CID 161306805
14,18-diphenyl-3-(6-pyridin-3-yl-2-pyridinyl)-3,14,18-triazahexacyclo[11.10.0.02,10.04,9.015,23.017,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,19,21-decaene
CID 90267193

Frequently Asked Questions

What is the IUPAC name of 14,18-diphenyl-3-(4-phenylquinazolin-2-yl)-3,14,18-triazahexacyclo[11.10.0.02,10.04,9.015,23.017,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,19,21-decaene?
The IUPAC name of 14,18-diphenyl-3-(4-phenylquinazolin-2-yl)-3,14,18-triazahexacyclo[11.10.0.02,10.04,9.015,23.017,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,19,21-decaene (CID 90267141) is 14,18-diphenyl-3-(4-phenylquinazolin-2-yl)-3,14,18-triazahexacyclo[11.10.0.02,10.04,9.015,23.017,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,19,21-decaene.
What is the SMILES notation for 14,18-diphenyl-3-(4-phenylquinazolin-2-yl)-3,14,18-triazahexacyclo[11.10.0.02,10.04,9.015,23.017,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,19,21-decaene?
The canonical SMILES for 14,18-diphenyl-3-(4-phenylquinazolin-2-yl)-3,14,18-triazahexacyclo[11.10.0.02,10.04,9.015,23.017,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,19,21-decaene is c1ccc(-c2nc(-n3c4ccccc4c4ccc5c(c6cc7ccn(-c8ccccc8)c7cc6n5-c5ccccc5)c43)nc3ccccc23)cc1.
What is the InChIKey of 14,18-diphenyl-3-(4-phenylquinazolin-2-yl)-3,14,18-triazahexacyclo[11.10.0.02,10.04,9.015,23.017,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,19,21-decaene?
The InChIKey is YLEQCKWUGGUGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N5/c1-4-14-30(15-5-1)44-36-21-10-12-22-38(36)47-46(48-44)51-39-23-13-11-20-34(39)35-24-25-40-43(45(35)51)37-28-31-26-27-49(32-16-6-2-7-17-32)41(31)29-42(37)50(40)33-18-8-3-9-19-33/h1-29H.
What are the key properties of 14,18-diphenyl-3-(4-phenylquinazolin-2-yl)-3,14,18-triazahexacyclo[11.10.0.02,10.04,9.015,23.017,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,19,21-decaene?
14,18-diphenyl-3-(4-phenylquinazolin-2-yl)-3,14,18-triazahexacyclo[11.10.0.02,10.04,9.015,23.017,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,19,21-decaene has a molecular weight of 651.77 g/mol, XLogP of 11.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 14,18-diphenyl-3-(4-phenylquinazolin-2-yl)-3,14,18-triazahexacyclo[11.10.0.02,10.04,9.015,23.017,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,19,21-decaene is sourced from PubChem (CID 90267141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).