22-(4-phenyl-1,2,3,4-tetrahydroquinazolin-2-yl)-14,22-diazahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8(13),9,11,15,17(21),18-decaene

C34H24N4 — CID 129200067

IUPAC22-(4-phenyl-1,2,3,4-tetrahydroquinazolin-2-yl)-14,22-diazahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8(13),9,11,15,17(21),18-decaene
SMILESc1ccc(C2NC(n3c4cccc5c6cccc7ccn(c8cccc3c8c54)c76)Nc3ccccc32)cc1
InChIInChI=1S/C34H24N4/c1-2-9-21(10-3-1)32-25-12-4-5-15-26(25)35-34(36-32)38-28-17-7-13-23-24-14-6-11-22-19-20-37(33(22)24)27-16-8-18-29(38)31(27)30(23)28/h1-20,32,34-36H
InChIKeyZPXCUHVAVMPKSR-UHFFFAOYSA-N
MW488.59 g/mol
LogP8.05
Rot. Bonds2

About 22-(4-phenyl-1,2,3,4-tetrahydroquinazolin-2-yl)-14,22-diazahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8(13),9,11,15,17(21),18-decaene

22-(4-phenyl-1,2,3,4-tetrahydroquinazolin-2-yl)-14,22-diazahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8(13),9,11,15,17(21),18-decaene (PubChem CID 129200067) has the molecular formula C34H24N4 and a molecular weight of 488.59 g/mol. Its IUPAC name is 22-(4-phenyl-1,2,3,4-tetrahydroquinazolin-2-yl)-14,22-diazahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8(13),9,11,15,17(21),18-decaene.

Molecular Properties

Compound Name22-(4-phenyl-1,2,3,4-tetrahydroquinazolin-2-yl)-14,22-diazahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8(13),9,11,15,17(21),18-decaene
PubChem CID129200067
Molecular FormulaC34H24N4
Molecular Weight488.59 g/mol
Exact Mass488.20
IUPAC Name22-(4-phenyl-1,2,3,4-tetrahydroquinazolin-2-yl)-14,22-diazahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8(13),9,11,15,17(21),18-decaene
SMILESc1ccc(C2NC(n3c4cccc5c6cccc7ccn(c8cccc3c8c54)c76)Nc3ccccc32)cc1
InChIInChI=1S/C34H24N4/c1-2-9-21(10-3-1)32-25-12-4-5-15-26(25)35-34(36-32)38-28-17-7-13-23-24-14-6-11-22-19-20-37(33(22)24)27-16-8-18-29(38)31(27)30(23)28/h1-20,32,34-36H
InChIKeyZPXCUHVAVMPKSR-UHFFFAOYSA-N
XLogP8.05
TPSA33.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.59
LogP ≤ 58.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 22-(4-phenyl-1,2,3,4-tetrahydroquinazolin-2-yl)-14,22-diazahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8(13),9,11,15,17(21),18-decaene with MolForge

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Related Compounds

15-(4-phenyl-1,2,3,4-tetrahydroquinazolin-2-yl)-1,15-diazanonacyclo[23.10.1.02,18.04,16.05,14.08,13.019,24.029,36.030,35]hexatriaconta-2(18),3,5(14),6,8,10,12,16,19,21,23,25,27,29(36),30,32,34-heptadecaene
CID 126700539
21-phenyl-24-(4-phenyl-1,2,3,4-tetrahydroquinazolin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene
CID 145085116
6-phenyl-11-[4-(4-pyridin-2-ylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]-6,11-diazapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),2(10),3(7),4,8,12,14,16,18-nonaene
CID 90231195
14,14-dimethyl-9-[4-(4-phenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16-octaene
CID 145064314
22-(3-phenylquinoxalin-2-yl)-14,22-diazahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8(13),9,11,15,17(21),18-decaene
CID 140947093
16-(4-cyclohexa-1,3-dien-1-yl-1,2,3,4-tetrahydroquinazolin-2-yl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 134400077
26-methyl-18,26-diazaheptacyclo[16.6.1.13,24.02,7.08,17.010,15.021,25]hexacosa-1(24),2(7),3,5,8,10,12,14,16,19,21(25),22-dodecaene
CID 167073746
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole;11-[4-(3-phenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole
CID 159033679
22-dibenzothiophen-3-yl-8-(4-phenyl-1,2,3,4-tetrahydroquinazolin-2-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene
CID 129310678
(2R,4S)-2-(4-methoxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinazoline
CID 129404319
15,15-dimethyl-12-[4-[4-(4-phenyl-1,2,3,4-tetrahydroquinazolin-2-yl)phenyl]phenyl]-12-azaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-1(16),2(14),3,5(13),6,8,10,17,19,21,23,25,27-tridecaene
CID 129071027
9-(5-methyl-4,6-dinaphthalen-1-yl-1,3,5-triazinan-2-yl)-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 135162647

Frequently Asked Questions

What is the IUPAC name of 22-(4-phenyl-1,2,3,4-tetrahydroquinazolin-2-yl)-14,22-diazahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8(13),9,11,15,17(21),18-decaene?
The IUPAC name of 22-(4-phenyl-1,2,3,4-tetrahydroquinazolin-2-yl)-14,22-diazahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8(13),9,11,15,17(21),18-decaene (CID 129200067) is 22-(4-phenyl-1,2,3,4-tetrahydroquinazolin-2-yl)-14,22-diazahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8(13),9,11,15,17(21),18-decaene.
What is the SMILES notation for 22-(4-phenyl-1,2,3,4-tetrahydroquinazolin-2-yl)-14,22-diazahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8(13),9,11,15,17(21),18-decaene?
The canonical SMILES for 22-(4-phenyl-1,2,3,4-tetrahydroquinazolin-2-yl)-14,22-diazahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8(13),9,11,15,17(21),18-decaene is c1ccc(C2NC(n3c4cccc5c6cccc7ccn(c8cccc3c8c54)c76)Nc3ccccc32)cc1.
What is the InChIKey of 22-(4-phenyl-1,2,3,4-tetrahydroquinazolin-2-yl)-14,22-diazahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8(13),9,11,15,17(21),18-decaene?
The InChIKey is ZPXCUHVAVMPKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24N4/c1-2-9-21(10-3-1)32-25-12-4-5-15-26(25)35-34(36-32)38-28-17-7-13-23-24-14-6-11-22-19-20-37(33(22)24)27-16-8-18-29(38)31(27)30(23)28/h1-20,32,34-36H.
What are the key properties of 22-(4-phenyl-1,2,3,4-tetrahydroquinazolin-2-yl)-14,22-diazahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8(13),9,11,15,17(21),18-decaene?
22-(4-phenyl-1,2,3,4-tetrahydroquinazolin-2-yl)-14,22-diazahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8(13),9,11,15,17(21),18-decaene has a molecular weight of 488.59 g/mol, XLogP of 8.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 22-(4-phenyl-1,2,3,4-tetrahydroquinazolin-2-yl)-14,22-diazahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8(13),9,11,15,17(21),18-decaene is sourced from PubChem (CID 129200067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).