15-phenyl-12-(4-phenyl-3,4-dihydroquinazolin-2-yl)-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene

C42H28N4 — CID 137209288

IUPAC15-phenyl-12-(4-phenyl-3,4-dihydroquinazolin-2-yl)-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
SMILESc1ccc(C2NC(n3c4ccc5ccccc5c4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)=Nc3ccccc32)cc1
InChIInChI=1S/C42H28N4/c1-3-14-28(15-4-1)39-33-20-9-11-21-35(33)43-42(44-39)46-37-26-23-27-13-7-8-18-30(27)38(37)34-25-24-32-31-19-10-12-22-36(31)45(40(32)41(34)46)29-16-5-2-6-17-29/h1-26,39H,(H,43,44)
InChIKeyXXMIPJNHXITAQK-UHFFFAOYSA-N
MW588.71 g/mol
LogP10.27
Rot. Bonds2

About 15-phenyl-12-(4-phenyl-3,4-dihydroquinazolin-2-yl)-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene

15-phenyl-12-(4-phenyl-3,4-dihydroquinazolin-2-yl)-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene (PubChem CID 137209288) has the molecular formula C42H28N4 and a molecular weight of 588.71 g/mol. Its IUPAC name is 15-phenyl-12-(4-phenyl-3,4-dihydroquinazolin-2-yl)-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene.

Molecular Properties

Compound Name15-phenyl-12-(4-phenyl-3,4-dihydroquinazolin-2-yl)-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
PubChem CID137209288
Molecular FormulaC42H28N4
Molecular Weight588.71 g/mol
Exact Mass588.23
IUPAC Name15-phenyl-12-(4-phenyl-3,4-dihydroquinazolin-2-yl)-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
SMILESc1ccc(C2NC(n3c4ccc5ccccc5c4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)=Nc3ccccc32)cc1
InChIInChI=1S/C42H28N4/c1-3-14-28(15-4-1)39-33-20-9-11-21-35(33)43-42(44-39)46-37-26-23-27-13-7-8-18-30(27)38(37)34-25-24-32-31-19-10-12-22-36(31)45(40(32)41(34)46)29-16-5-2-6-17-29/h1-26,39H,(H,43,44)
InChIKeyXXMIPJNHXITAQK-UHFFFAOYSA-N
XLogP10.27
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.71
LogP ≤ 510.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 15-phenyl-12-(4-phenyl-3,4-dihydroquinazolin-2-yl)-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene with MolForge

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Related Compounds

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CID 145351033
3-phenyl-28-[3-(4-phenyl-3,4-dihydroquinazolin-2-yl)phenyl]-3,28-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene
CID 163591893
3-[9-[4-(4-naphthalen-2-ylphenyl)-3,4-dihydroquinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 144925897
12-phenyl-15-(9-phenylcarbazol-3-yl)-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
CID 122465510
5-[6-(4-phenyl-3,4-dihydroquinazolin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole
CID 154968692
15-phenyl-12-quinoxalin-6-yl-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
CID 154952669
33-(4-phenyl-3,4-dihydroquinazolin-2-yl)-10-thia-21,33-diazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.022,27.028,32]tritriaconta-1(31),2(14),3(11),4,6,8,12,15(20),16,18,22,24,26,28(32),29-pentadecaene
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15-(2,3-diphenylquinoxalin-6-yl)-12-phenyl-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
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3-naphthalen-1-yl-11-phenyl-3,11-diazapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene
CID 144609323
15-phenyl-12-(4-phenyl-1,2-dihydroquinazolin-2-yl)-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
CID 168721281
3-[9-(4-fluorophenyl)carbazol-3-yl]-9-[4-(4-phenyl-3,4-dihydroquinazolin-2-yl)phenyl]carbazole
CID 136631150
14-phenyl-3-(4-phenylphenyl)-3,14-diazahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
CID 154589079

Frequently Asked Questions

What is the IUPAC name of 15-phenyl-12-(4-phenyl-3,4-dihydroquinazolin-2-yl)-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene?
The IUPAC name of 15-phenyl-12-(4-phenyl-3,4-dihydroquinazolin-2-yl)-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene (CID 137209288) is 15-phenyl-12-(4-phenyl-3,4-dihydroquinazolin-2-yl)-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene.
What is the SMILES notation for 15-phenyl-12-(4-phenyl-3,4-dihydroquinazolin-2-yl)-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene?
The canonical SMILES for 15-phenyl-12-(4-phenyl-3,4-dihydroquinazolin-2-yl)-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene is c1ccc(C2NC(n3c4ccc5ccccc5c4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)=Nc3ccccc32)cc1.
What is the InChIKey of 15-phenyl-12-(4-phenyl-3,4-dihydroquinazolin-2-yl)-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene?
The InChIKey is XXMIPJNHXITAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N4/c1-3-14-28(15-4-1)39-33-20-9-11-21-35(33)43-42(44-39)46-37-26-23-27-13-7-8-18-30(27)38(37)34-25-24-32-31-19-10-12-22-36(31)45(40(32)41(34)46)29-16-5-2-6-17-29/h1-26,39H,(H,43,44).
What are the key properties of 15-phenyl-12-(4-phenyl-3,4-dihydroquinazolin-2-yl)-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene?
15-phenyl-12-(4-phenyl-3,4-dihydroquinazolin-2-yl)-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene has a molecular weight of 588.71 g/mol, XLogP of 10.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15-phenyl-12-(4-phenyl-3,4-dihydroquinazolin-2-yl)-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene is sourced from PubChem (CID 137209288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).