23-(4-naphthalen-2-yl-2-phenyl-1,2-dihydroquinazolin-6-yl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene

C46H29N3 — CID 163628053

IUPAC23-(4-naphthalen-2-yl-2-phenyl-1,2-dihydroquinazolin-6-yl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene
SMILESc1ccc(C2N=C(c3ccc4ccccc4c3)c3cc(-n4c5cccc6c5c5c7c(cccc7ccc54)-c4ccccc4-6)ccc3N2)cc1
InChIInChI=1S/C46H29N3/c1-2-11-30(12-3-1)46-47-39-24-23-33(27-38(39)45(48-46)32-21-20-28-10-4-5-13-31(28)26-32)49-40-19-9-18-37-35-16-7-6-15-34(35)36-17-8-14-29-22-25-41(49)44(42(29)36)43(37)40/h1-27,46-47H
InChIKeyPTHRWEMPPIGACX-UHFFFAOYSA-N
MW623.76 g/mol
LogP11.70
Rot. Bonds3

About 23-(4-naphthalen-2-yl-2-phenyl-1,2-dihydroquinazolin-6-yl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene

23-(4-naphthalen-2-yl-2-phenyl-1,2-dihydroquinazolin-6-yl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene (PubChem CID 163628053) has the molecular formula C46H29N3 and a molecular weight of 623.76 g/mol. Its IUPAC name is 23-(4-naphthalen-2-yl-2-phenyl-1,2-dihydroquinazolin-6-yl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene.

Molecular Properties

Compound Name23-(4-naphthalen-2-yl-2-phenyl-1,2-dihydroquinazolin-6-yl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene
PubChem CID163628053
Molecular FormulaC46H29N3
Molecular Weight623.76 g/mol
Exact Mass623.24
IUPAC Name23-(4-naphthalen-2-yl-2-phenyl-1,2-dihydroquinazolin-6-yl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene
SMILESc1ccc(C2N=C(c3ccc4ccccc4c3)c3cc(-n4c5cccc6c5c5c7c(cccc7ccc54)-c4ccccc4-6)ccc3N2)cc1
InChIInChI=1S/C46H29N3/c1-2-11-30(12-3-1)46-47-39-24-23-33(27-38(39)45(48-46)32-21-20-28-10-4-5-13-31(28)26-32)49-40-19-9-18-37-35-16-7-6-15-34(35)36-17-8-14-29-22-25-41(49)44(42(29)36)43(37)40/h1-27,46-47H
InChIKeyPTHRWEMPPIGACX-UHFFFAOYSA-N
XLogP11.70
TPSA29.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.76
LogP ≤ 511.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 23-(4-naphthalen-2-yl-2-phenyl-1,2-dihydroquinazolin-6-yl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene with MolForge

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Related Compounds

23-[4-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene
CID 155772863
12-[3-(4-dibenzothiophen-3-yl-1,2-dihydroquinazolin-2-yl)phenyl]-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 118535684
9-phenyl-17-(7-phenylnaphthalen-2-yl)-9,17-diazaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene
CID 163594520
23-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene
CID 146321372
23-[4-(4-carbazol-9-ylphenyl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene
CID 139497902
10-carbazol-9-yl-1-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 159682498
4,9,14-trinaphthalen-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 170928009
4-[4-(27-azaheptacyclo[16.7.1.13,25.02,7.08,17.010,15.022,26]heptacosa-1(25),2(7),3,5,8,10,12,14,16,18,20,22(26),23-tridecaen-27-yl)phenyl]-N,N-diphenylaniline;27-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-27-azaheptacyclo[16.7.1.13,25.02,7.08,17.010,15.022,26]heptacosa-1(25),2(7),3,5,8,10,12,14,16,18,20,22(26),23-tridecaene
CID 159875577
4-naphthalen-2-yl-2-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]-1,2-dihydroquinazoline
CID 145202401
23-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene
CID 164764696
23-[3-(10-phenylanthracen-9-yl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene
CID 158340631
18-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-azaheptacyclo[12.11.0.02,11.03,8.04,23.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaene
CID 162770195

Frequently Asked Questions

What is the IUPAC name of 23-(4-naphthalen-2-yl-2-phenyl-1,2-dihydroquinazolin-6-yl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene?
The IUPAC name of 23-(4-naphthalen-2-yl-2-phenyl-1,2-dihydroquinazolin-6-yl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene (CID 163628053) is 23-(4-naphthalen-2-yl-2-phenyl-1,2-dihydroquinazolin-6-yl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene.
What is the SMILES notation for 23-(4-naphthalen-2-yl-2-phenyl-1,2-dihydroquinazolin-6-yl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene?
The canonical SMILES for 23-(4-naphthalen-2-yl-2-phenyl-1,2-dihydroquinazolin-6-yl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene is c1ccc(C2N=C(c3ccc4ccccc4c3)c3cc(-n4c5cccc6c5c5c7c(cccc7ccc54)-c4ccccc4-6)ccc3N2)cc1.
What is the InChIKey of 23-(4-naphthalen-2-yl-2-phenyl-1,2-dihydroquinazolin-6-yl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene?
The InChIKey is PTHRWEMPPIGACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N3/c1-2-11-30(12-3-1)46-47-39-24-23-33(27-38(39)45(48-46)32-21-20-28-10-4-5-13-31(28)26-32)49-40-19-9-18-37-35-16-7-6-15-34(35)36-17-8-14-29-22-25-41(49)44(42(29)36)43(37)40/h1-27,46-47H.
What are the key properties of 23-(4-naphthalen-2-yl-2-phenyl-1,2-dihydroquinazolin-6-yl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene?
23-(4-naphthalen-2-yl-2-phenyl-1,2-dihydroquinazolin-6-yl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene has a molecular weight of 623.76 g/mol, XLogP of 11.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 23-(4-naphthalen-2-yl-2-phenyl-1,2-dihydroquinazolin-6-yl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene is sourced from PubChem (CID 163628053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).