15-(4-phenyl-1,2,3,8a-tetrahydroquinazolin-2-yl)-1,15-diazanonacyclo[23.10.1.02,18.04,16.05,14.06,11.019,24.029,36.030,35]hexatriaconta-2(18),3,5(14),6,8,10,12,16,19,21,23,25,27,29(36),30,32,34-heptadecaene

C48H32N4 — CID 126700469

IUPAC15-(4-phenyl-1,2,3,8a-tetrahydroquinazolin-2-yl)-1,15-diazanonacyclo[23.10.1.02,18.04,16.05,14.06,11.019,24.029,36.030,35]hexatriaconta-2(18),3,5(14),6,8,10,12,16,19,21,23,25,27,29(36),30,32,34-heptadecaene
SMILESC1=CC2=C(c3ccccc3)NC(n3c4cc5c(cc4c4c6ccccc6ccc43)-n3c4ccccc4c4cccc(c43)-c3ccccc3-5)NC2C=C1
InChIInChI=1S/C48H32N4/c1-2-14-30(15-3-1)46-37-20-8-10-23-40(37)49-48(50-46)52-42-26-25-29-13-4-5-16-31(29)45(42)39-28-43-38(27-44(39)52)33-18-7-6-17-32(33)35-21-12-22-36-34-19-9-11-24-41(34)51(43)47(35)36/h1-28,40,48-50H
InChIKeyDNYYNRGAPRICFP-UHFFFAOYSA-N
MW664.81 g/mol
LogP11.25
Rot. Bonds2

About 15-(4-phenyl-1,2,3,8a-tetrahydroquinazolin-2-yl)-1,15-diazanonacyclo[23.10.1.02,18.04,16.05,14.06,11.019,24.029,36.030,35]hexatriaconta-2(18),3,5(14),6,8,10,12,16,19,21,23,25,27,29(36),30,32,34-heptadecaene

15-(4-phenyl-1,2,3,8a-tetrahydroquinazolin-2-yl)-1,15-diazanonacyclo[23.10.1.02,18.04,16.05,14.06,11.019,24.029,36.030,35]hexatriaconta-2(18),3,5(14),6,8,10,12,16,19,21,23,25,27,29(36),30,32,34-heptadecaene (PubChem CID 126700469) has the molecular formula C48H32N4 and a molecular weight of 664.81 g/mol. Its IUPAC name is 15-(4-phenyl-1,2,3,8a-tetrahydroquinazolin-2-yl)-1,15-diazanonacyclo[23.10.1.02,18.04,16.05,14.06,11.019,24.029,36.030,35]hexatriaconta-2(18),3,5(14),6,8,10,12,16,19,21,23,25,27,29(36),30,32,34-heptadecaene.

Molecular Properties

Compound Name15-(4-phenyl-1,2,3,8a-tetrahydroquinazolin-2-yl)-1,15-diazanonacyclo[23.10.1.02,18.04,16.05,14.06,11.019,24.029,36.030,35]hexatriaconta-2(18),3,5(14),6,8,10,12,16,19,21,23,25,27,29(36),30,32,34-heptadecaene
PubChem CID126700469
Molecular FormulaC48H32N4
Molecular Weight664.81 g/mol
Exact Mass664.26
IUPAC Name15-(4-phenyl-1,2,3,8a-tetrahydroquinazolin-2-yl)-1,15-diazanonacyclo[23.10.1.02,18.04,16.05,14.06,11.019,24.029,36.030,35]hexatriaconta-2(18),3,5(14),6,8,10,12,16,19,21,23,25,27,29(36),30,32,34-heptadecaene
SMILESC1=CC2=C(c3ccccc3)NC(n3c4cc5c(cc4c4c6ccccc6ccc43)-n3c4ccccc4c4cccc(c43)-c3ccccc3-5)NC2C=C1
InChIInChI=1S/C48H32N4/c1-2-14-30(15-3-1)46-37-20-8-10-23-40(37)49-48(50-46)52-42-26-25-29-13-4-5-16-31(29)45(42)39-28-43-38(27-44(39)52)33-18-7-6-17-32(33)35-21-12-22-36-34-19-9-11-24-41(34)51(43)47(35)36/h1-28,40,48-50H
InChIKeyDNYYNRGAPRICFP-UHFFFAOYSA-N
XLogP11.25
TPSA33.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.81
LogP ≤ 511.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 15-(4-phenyl-1,2,3,8a-tetrahydroquinazolin-2-yl)-1,15-diazanonacyclo[23.10.1.02,18.04,16.05,14.06,11.019,24.029,36.030,35]hexatriaconta-2(18),3,5(14),6,8,10,12,16,19,21,23,25,27,29(36),30,32,34-heptadecaene 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
11-(3-phenyl-4,4a-dihydroquinoxalin-2-yl)-11,21-diazaoctacyclo[19.10.1.02,14.04,12.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3,5,7,9,12,15,17,19,22,24,26,28(32),29-pentadecaene
CID 126700529
9-phenyl-7-(3-phenyl-4,4a-dihydroquinoxalin-2-yl)benzo[c]carbazole
CID 121356812
10-phenyl-18-[4-[9-(3-phenylnaphthalen-2-yl)carbazol-3-yl]phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15(20),16,18,21(25),22-dodecaene
CID 145085485
9-naphthalen-1-yl-1-(9-naphthalen-1-ylcarbazol-1-yl)carbazole
CID 134507274
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
25-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azaheptacyclo[14.12.1.02,11.05,10.012,29.017,22.023,28]nonacosa-2(11),3,5,7,9,12(29),13,15,17,19,21,23(28),24,26-tetradecaene
CID 121386184
9-(6-naphtho[1,2-b][1]benzothiol-10-yl-4-phenyl-1,2,3,4-tetrahydropyrimidin-2-yl)-2-phenylcarbazole
CID 144601362
2-(9-fluoranthen-3-ylcarbazol-3-yl)-5-phenylbenzo[b]carbazole;7-fluoranthen-3-yl-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole
CID 159351866
4-(3-phenylphenyl)-2-(13,18,25-triazaoctacyclo[14.14.1.02,14.03,12.06,11.017,26.019,24.027,31]hentriaconta-1(31),2(14),3(12),4,6,8,10,15,17(26),18,20,22,27,29-tetradecaen-13-yl)-1,2,3,9b-tetrahydro-[1]benzothiolo[3,2-d]pyrimidine
CID 163701609
16-(3-naphthalen-1-ylphenyl)-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 174232921
2-(7-fluoranthen-3-ylbenzo[c]carbazol-10-yl)-5-phenylbenzo[b]carbazole;7-fluoranthen-3-yl-10-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole;5-fluoranthen-3-yl-2-(9-phenylcarbazol-3-yl)benzo[b]carbazole;7-fluoranthen-3-yl-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole;5-(3-fluoranthen-3-ylphenyl)-2-(9-phenylcarbazol-3-yl)benzo[b]carbazole;7-(3-fluoranthen-3-ylphenyl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole
CID 161437853

Frequently Asked Questions

What is the IUPAC name of 15-(4-phenyl-1,2,3,8a-tetrahydroquinazolin-2-yl)-1,15-diazanonacyclo[23.10.1.02,18.04,16.05,14.06,11.019,24.029,36.030,35]hexatriaconta-2(18),3,5(14),6,8,10,12,16,19,21,23,25,27,29(36),30,32,34-heptadecaene?
The IUPAC name of 15-(4-phenyl-1,2,3,8a-tetrahydroquinazolin-2-yl)-1,15-diazanonacyclo[23.10.1.02,18.04,16.05,14.06,11.019,24.029,36.030,35]hexatriaconta-2(18),3,5(14),6,8,10,12,16,19,21,23,25,27,29(36),30,32,34-heptadecaene (CID 126700469) is 15-(4-phenyl-1,2,3,8a-tetrahydroquinazolin-2-yl)-1,15-diazanonacyclo[23.10.1.02,18.04,16.05,14.06,11.019,24.029,36.030,35]hexatriaconta-2(18),3,5(14),6,8,10,12,16,19,21,23,25,27,29(36),30,32,34-heptadecaene.
What is the SMILES notation for 15-(4-phenyl-1,2,3,8a-tetrahydroquinazolin-2-yl)-1,15-diazanonacyclo[23.10.1.02,18.04,16.05,14.06,11.019,24.029,36.030,35]hexatriaconta-2(18),3,5(14),6,8,10,12,16,19,21,23,25,27,29(36),30,32,34-heptadecaene?
The canonical SMILES for 15-(4-phenyl-1,2,3,8a-tetrahydroquinazolin-2-yl)-1,15-diazanonacyclo[23.10.1.02,18.04,16.05,14.06,11.019,24.029,36.030,35]hexatriaconta-2(18),3,5(14),6,8,10,12,16,19,21,23,25,27,29(36),30,32,34-heptadecaene is C1=CC2=C(c3ccccc3)NC(n3c4cc5c(cc4c4c6ccccc6ccc43)-n3c4ccccc4c4cccc(c43)-c3ccccc3-5)NC2C=C1.
What is the InChIKey of 15-(4-phenyl-1,2,3,8a-tetrahydroquinazolin-2-yl)-1,15-diazanonacyclo[23.10.1.02,18.04,16.05,14.06,11.019,24.029,36.030,35]hexatriaconta-2(18),3,5(14),6,8,10,12,16,19,21,23,25,27,29(36),30,32,34-heptadecaene?
The InChIKey is DNYYNRGAPRICFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N4/c1-2-14-30(15-3-1)46-37-20-8-10-23-40(37)49-48(50-46)52-42-26-25-29-13-4-5-16-31(29)45(42)39-28-43-38(27-44(39)52)33-18-7-6-17-32(33)35-21-12-22-36-34-19-9-11-24-41(34)51(43)47(35)36/h1-28,40,48-50H.
What are the key properties of 15-(4-phenyl-1,2,3,8a-tetrahydroquinazolin-2-yl)-1,15-diazanonacyclo[23.10.1.02,18.04,16.05,14.06,11.019,24.029,36.030,35]hexatriaconta-2(18),3,5(14),6,8,10,12,16,19,21,23,25,27,29(36),30,32,34-heptadecaene?
15-(4-phenyl-1,2,3,8a-tetrahydroquinazolin-2-yl)-1,15-diazanonacyclo[23.10.1.02,18.04,16.05,14.06,11.019,24.029,36.030,35]hexatriaconta-2(18),3,5(14),6,8,10,12,16,19,21,23,25,27,29(36),30,32,34-heptadecaene has a molecular weight of 664.81 g/mol, XLogP of 11.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(4-phenyl-1,2,3,8a-tetrahydroquinazolin-2-yl)-1,15-diazanonacyclo[23.10.1.02,18.04,16.05,14.06,11.019,24.029,36.030,35]hexatriaconta-2(18),3,5(14),6,8,10,12,16,19,21,23,25,27,29(36),30,32,34-heptadecaene is sourced from PubChem (CID 126700469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).