4-(4-dibenzothiophen-2-ylquinazolin-2-yl)-1,4-diazaoctacyclo[17.10.1.02,18.03,11.05,10.012,17.023,30.024,29]triaconta-2(18),3(11),5,7,9,12,14,16,19,21,23(30),24,26,28-tetradecaene

C48H26N4S — CID 152990660

IUPAC4-(4-dibenzothiophen-2-ylquinazolin-2-yl)-1,4-diazaoctacyclo[17.10.1.02,18.03,11.05,10.012,17.023,30.024,29]triaconta-2(18),3(11),5,7,9,12,14,16,19,21,23(30),24,26,28-tetradecaene
SMILESc1ccc2c(-c3ccc4sc5ccccc5c4c3)nc(-n3c4ccccc4c4c5ccccc5c5c6cccc7c8ccccc8n(c76)c5c43)nc2c1
InChIInChI=1S/C48H26N4S/c1-2-15-31-30(14-1)42-34-17-5-9-22-39(34)52(47(42)46-43(31)35-19-11-18-32-28-12-4-8-21-38(28)51(46)45(32)35)48-49-37-20-7-3-16-33(37)44(50-48)27-24-25-41-36(26-27)29-13-6-10-23-40(29)53-41/h1-26H
InChIKeyUWEZXBJMKUHFOS-UHFFFAOYSA-N
MW690.83 g/mol
LogP13.07
Rot. Bonds2

About 4-(4-dibenzothiophen-2-ylquinazolin-2-yl)-1,4-diazaoctacyclo[17.10.1.02,18.03,11.05,10.012,17.023,30.024,29]triaconta-2(18),3(11),5,7,9,12,14,16,19,21,23(30),24,26,28-tetradecaene

4-(4-dibenzothiophen-2-ylquinazolin-2-yl)-1,4-diazaoctacyclo[17.10.1.02,18.03,11.05,10.012,17.023,30.024,29]triaconta-2(18),3(11),5,7,9,12,14,16,19,21,23(30),24,26,28-tetradecaene (PubChem CID 152990660) has the molecular formula C48H26N4S and a molecular weight of 690.83 g/mol. Its IUPAC name is 4-(4-dibenzothiophen-2-ylquinazolin-2-yl)-1,4-diazaoctacyclo[17.10.1.02,18.03,11.05,10.012,17.023,30.024,29]triaconta-2(18),3(11),5,7,9,12,14,16,19,21,23(30),24,26,28-tetradecaene.

Molecular Properties

Compound Name4-(4-dibenzothiophen-2-ylquinazolin-2-yl)-1,4-diazaoctacyclo[17.10.1.02,18.03,11.05,10.012,17.023,30.024,29]triaconta-2(18),3(11),5,7,9,12,14,16,19,21,23(30),24,26,28-tetradecaene
PubChem CID152990660
Molecular FormulaC48H26N4S
Molecular Weight690.83 g/mol
Exact Mass690.19
IUPAC Name4-(4-dibenzothiophen-2-ylquinazolin-2-yl)-1,4-diazaoctacyclo[17.10.1.02,18.03,11.05,10.012,17.023,30.024,29]triaconta-2(18),3(11),5,7,9,12,14,16,19,21,23(30),24,26,28-tetradecaene
SMILESc1ccc2c(-c3ccc4sc5ccccc5c4c3)nc(-n3c4ccccc4c4c5ccccc5c5c6cccc7c8ccccc8n(c76)c5c43)nc2c1
InChIInChI=1S/C48H26N4S/c1-2-15-31-30(14-1)42-34-17-5-9-22-39(34)52(47(42)46-43(31)35-19-11-18-32-28-12-4-8-21-38(28)51(46)45(32)35)48-49-37-20-7-3-16-33(37)44(50-48)27-24-25-41-36(26-27)29-13-6-10-23-40(29)53-41/h1-26H
InChIKeyUWEZXBJMKUHFOS-UHFFFAOYSA-N
XLogP13.07
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.83
LogP ≤ 513.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(4-dibenzothiophen-2-ylquinazolin-2-yl)-1,4-diazaoctacyclo[17.10.1.02,18.03,11.05,10.012,17.023,30.024,29]triaconta-2(18),3(11),5,7,9,12,14,16,19,21,23(30),24,26,28-tetradecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

11-(4-dibenzothiophen-2-ylquinazolin-2-yl)-1,11-diazaoctacyclo[17.10.1.02,18.03,15.04,12.05,10.023,30.024,29]triaconta-2(18),3(15),4(12),5,7,9,13,16,19,21,23(30),24,26,28-tetradecaene
CID 142290443
10-(4-naphthalen-2-ylquinazolin-2-yl)-1,10-diazaoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-2(18),3(11),4,6,8,12,14,16,19,21,23(30),24,26,28-tetradecaene
CID 163570892
5-dibenzothiophen-2-yl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 122692448
1-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
CID 142568323
1-(3-dibenzothiophen-2-ylphenyl)-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
CID 142568439
29-(4-phenylquinazolin-2-yl)-39-thia-20,29-diazadecacyclo[18.17.1.13,37.02,7.08,13.014,19.021,33.022,30.023,28.034,38]nonatriaconta-1(37),2(7),3,5,8,10,12,14,16,18,21(33),22(30),23,25,27,31,34(38),35-octadecaene
CID 139575136
7-carbazol-9-yl-5-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[b]carbazole
CID 146375444
1-naphtho[2,1-b][1]benzothiol-10-yl-9-(4-phenylquinazolin-2-yl)carbazole
CID 142572129
3-(4-dibenzothiophen-2-ylphenyl)-9-[4-(3,5-diphenylphenyl)quinazolin-2-yl]carbazole
CID 118067250
21-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
CID 89282838
24-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 152931087
9-carbazol-9-yl-7-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[c]carbazole
CID 162481266

Frequently Asked Questions

What is the IUPAC name of 4-(4-dibenzothiophen-2-ylquinazolin-2-yl)-1,4-diazaoctacyclo[17.10.1.02,18.03,11.05,10.012,17.023,30.024,29]triaconta-2(18),3(11),5,7,9,12,14,16,19,21,23(30),24,26,28-tetradecaene?
The IUPAC name of 4-(4-dibenzothiophen-2-ylquinazolin-2-yl)-1,4-diazaoctacyclo[17.10.1.02,18.03,11.05,10.012,17.023,30.024,29]triaconta-2(18),3(11),5,7,9,12,14,16,19,21,23(30),24,26,28-tetradecaene (CID 152990660) is 4-(4-dibenzothiophen-2-ylquinazolin-2-yl)-1,4-diazaoctacyclo[17.10.1.02,18.03,11.05,10.012,17.023,30.024,29]triaconta-2(18),3(11),5,7,9,12,14,16,19,21,23(30),24,26,28-tetradecaene.
What is the SMILES notation for 4-(4-dibenzothiophen-2-ylquinazolin-2-yl)-1,4-diazaoctacyclo[17.10.1.02,18.03,11.05,10.012,17.023,30.024,29]triaconta-2(18),3(11),5,7,9,12,14,16,19,21,23(30),24,26,28-tetradecaene?
The canonical SMILES for 4-(4-dibenzothiophen-2-ylquinazolin-2-yl)-1,4-diazaoctacyclo[17.10.1.02,18.03,11.05,10.012,17.023,30.024,29]triaconta-2(18),3(11),5,7,9,12,14,16,19,21,23(30),24,26,28-tetradecaene is c1ccc2c(-c3ccc4sc5ccccc5c4c3)nc(-n3c4ccccc4c4c5ccccc5c5c6cccc7c8ccccc8n(c76)c5c43)nc2c1.
What is the InChIKey of 4-(4-dibenzothiophen-2-ylquinazolin-2-yl)-1,4-diazaoctacyclo[17.10.1.02,18.03,11.05,10.012,17.023,30.024,29]triaconta-2(18),3(11),5,7,9,12,14,16,19,21,23(30),24,26,28-tetradecaene?
The InChIKey is UWEZXBJMKUHFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H26N4S/c1-2-15-31-30(14-1)42-34-17-5-9-22-39(34)52(47(42)46-43(31)35-19-11-18-32-28-12-4-8-21-38(28)51(46)45(32)35)48-49-37-20-7-3-16-33(37)44(50-48)27-24-25-41-36(26-27)29-13-6-10-23-40(29)53-41/h1-26H.
What are the key properties of 4-(4-dibenzothiophen-2-ylquinazolin-2-yl)-1,4-diazaoctacyclo[17.10.1.02,18.03,11.05,10.012,17.023,30.024,29]triaconta-2(18),3(11),5,7,9,12,14,16,19,21,23(30),24,26,28-tetradecaene?
4-(4-dibenzothiophen-2-ylquinazolin-2-yl)-1,4-diazaoctacyclo[17.10.1.02,18.03,11.05,10.012,17.023,30.024,29]triaconta-2(18),3(11),5,7,9,12,14,16,19,21,23(30),24,26,28-tetradecaene has a molecular weight of 690.83 g/mol, XLogP of 13.07, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-dibenzothiophen-2-ylquinazolin-2-yl)-1,4-diazaoctacyclo[17.10.1.02,18.03,11.05,10.012,17.023,30.024,29]triaconta-2(18),3(11),5,7,9,12,14,16,19,21,23(30),24,26,28-tetradecaene is sourced from PubChem (CID 152990660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).