15-(4-naphtho[2,1-b][1]benzothiol-9-ylquinazolin-2-yl)-6-phenyl-12-oxa-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene

C52H29N3OS — CID 155335629

IUPAC15-(4-naphtho[2,1-b][1]benzothiol-9-ylquinazolin-2-yl)-6-phenyl-12-oxa-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene
SMILESc1ccc(-c2ccc3c(ccc4oc5c(ccc6c7ccccc7n(-c7nc(-c8ccc9c(c8)sc8ccc%10ccccc%10c89)c8ccccc8n7)c65)c43)c2)cc1
InChIInChI=1S/C52H29N3OS/c1-2-10-30(11-3-1)32-18-22-36-33(28-32)20-26-44-47(36)41-25-24-38-37-14-7-9-17-43(37)55(50(38)51(41)56-44)52-53-42-16-8-6-15-39(42)49(54-52)34-19-23-40-46(29-34)57-45-27-21-31-12-4-5-13-35(31)48(40)45/h1-29H
InChIKeyDXVGIHCTEPGINW-UHFFFAOYSA-N
MW743.89 g/mol
LogP14.63
Rot. Bonds3

About 15-(4-naphtho[2,1-b][1]benzothiol-9-ylquinazolin-2-yl)-6-phenyl-12-oxa-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene

15-(4-naphtho[2,1-b][1]benzothiol-9-ylquinazolin-2-yl)-6-phenyl-12-oxa-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene (PubChem CID 155335629) has the molecular formula C52H29N3OS and a molecular weight of 743.89 g/mol. Its IUPAC name is 15-(4-naphtho[2,1-b][1]benzothiol-9-ylquinazolin-2-yl)-6-phenyl-12-oxa-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene.

Molecular Properties

Compound Name15-(4-naphtho[2,1-b][1]benzothiol-9-ylquinazolin-2-yl)-6-phenyl-12-oxa-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene
PubChem CID155335629
Molecular FormulaC52H29N3OS
Molecular Weight743.89 g/mol
Exact Mass743.20
IUPAC Name15-(4-naphtho[2,1-b][1]benzothiol-9-ylquinazolin-2-yl)-6-phenyl-12-oxa-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene
SMILESc1ccc(-c2ccc3c(ccc4oc5c(ccc6c7ccccc7n(-c7nc(-c8ccc9c(c8)sc8ccc%10ccccc%10c89)c8ccccc8n7)c65)c43)c2)cc1
InChIInChI=1S/C52H29N3OS/c1-2-10-30(11-3-1)32-18-22-36-33(28-32)20-26-44-47(36)41-25-24-38-37-14-7-9-17-43(37)55(50(38)51(41)56-44)52-53-42-16-8-6-15-39(42)49(54-52)34-19-23-40-46(29-34)57-45-27-21-31-12-4-5-13-35(31)48(40)45/h1-29H
InChIKeyDXVGIHCTEPGINW-UHFFFAOYSA-N
XLogP14.63
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.89
LogP ≤ 514.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 15-(4-naphtho[2,1-b][1]benzothiol-9-ylquinazolin-2-yl)-6-phenyl-12-oxa-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene with MolForge

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Related Compounds

24-(4-naphtho[2,1-b][1]benzothiol-9-ylquinazolin-2-yl)-7-phenyl-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene
CID 155335509
9-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-1-naphtho[2,1-b][1]benzothiol-9-ylcarbazole
CID 142570384
1-naphtho[2,1-b][1]benzothiol-10-yl-9-(4-phenylquinazolin-2-yl)carbazole
CID 142572129
5-(4-naphthalen-1-ylquinazolin-2-yl)-4-naphtho[2,1-b][1]benzothiol-9-ylbenzo[b]carbazole
CID 142570472
18-[4-(6-phenylnaphthalen-2-yl)quinazolin-2-yl]-9-oxa-18-azahexacyclo[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 118672666
12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 126580317
9-(4-dibenzothiophen-3-ylquinazolin-2-yl)-21-phenyl-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 155335715
3-(9-phenylcarbazol-3-yl)-12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 90050449
4-naphtho[2,1-b][1]benzofuran-8-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 142571530
3-(6-phenylquinazolin-2-yl)-14-oxa-3-azahexacyclo[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 122465982
26-(4-phenylquinazolin-2-yl)-4,15-dithia-26-azaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;26-(4-phenylquinazolin-2-yl)-4-oxa-15-thia-26-azaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene
CID 165057098
9-(4-dibenzothiophen-3-ylquinazolin-2-yl)-22-phenyl-14-oxa-9-azahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 155335568

Frequently Asked Questions

What is the IUPAC name of 15-(4-naphtho[2,1-b][1]benzothiol-9-ylquinazolin-2-yl)-6-phenyl-12-oxa-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene?
The IUPAC name of 15-(4-naphtho[2,1-b][1]benzothiol-9-ylquinazolin-2-yl)-6-phenyl-12-oxa-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene (CID 155335629) is 15-(4-naphtho[2,1-b][1]benzothiol-9-ylquinazolin-2-yl)-6-phenyl-12-oxa-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene.
What is the SMILES notation for 15-(4-naphtho[2,1-b][1]benzothiol-9-ylquinazolin-2-yl)-6-phenyl-12-oxa-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene?
The canonical SMILES for 15-(4-naphtho[2,1-b][1]benzothiol-9-ylquinazolin-2-yl)-6-phenyl-12-oxa-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene is c1ccc(-c2ccc3c(ccc4oc5c(ccc6c7ccccc7n(-c7nc(-c8ccc9c(c8)sc8ccc%10ccccc%10c89)c8ccccc8n7)c65)c43)c2)cc1.
What is the InChIKey of 15-(4-naphtho[2,1-b][1]benzothiol-9-ylquinazolin-2-yl)-6-phenyl-12-oxa-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene?
The InChIKey is DXVGIHCTEPGINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H29N3OS/c1-2-10-30(11-3-1)32-18-22-36-33(28-32)20-26-44-47(36)41-25-24-38-37-14-7-9-17-43(37)55(50(38)51(41)56-44)52-53-42-16-8-6-15-39(42)49(54-52)34-19-23-40-46(29-34)57-45-27-21-31-12-4-5-13-35(31)48(40)45/h1-29H.
What are the key properties of 15-(4-naphtho[2,1-b][1]benzothiol-9-ylquinazolin-2-yl)-6-phenyl-12-oxa-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene?
15-(4-naphtho[2,1-b][1]benzothiol-9-ylquinazolin-2-yl)-6-phenyl-12-oxa-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene has a molecular weight of 743.89 g/mol, XLogP of 14.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(4-naphtho[2,1-b][1]benzothiol-9-ylquinazolin-2-yl)-6-phenyl-12-oxa-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene is sourced from PubChem (CID 155335629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).