5,20-dimethyl-24-(4-phenylquinazolin-2-yl)-9-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene

C38H25N3O — CID 146214208

IUPAC5,20-dimethyl-24-(4-phenylquinazolin-2-yl)-9-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene
SMILESCc1ccc2oc3c4ccccc4c4c5cc(C)ccc5n(-c5nc(-c6ccccc6)c6ccccc6n5)c4c3c2c1
InChIInChI=1S/C38H25N3O/c1-22-16-18-31-28(20-22)33-25-12-6-7-13-26(25)37-34(29-21-23(2)17-19-32(29)42-37)36(33)41(31)38-39-30-15-9-8-14-27(30)35(40-38)24-10-4-3-5-11-24/h3-21H,1-2H3
InChIKeyCOQQSHHPNILTQG-UHFFFAOYSA-N
MW539.64 g/mol
LogP10.06
Rot. Bonds2

About 5,20-dimethyl-24-(4-phenylquinazolin-2-yl)-9-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene

5,20-dimethyl-24-(4-phenylquinazolin-2-yl)-9-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene (PubChem CID 146214208) has the molecular formula C38H25N3O and a molecular weight of 539.64 g/mol. Its IUPAC name is 5,20-dimethyl-24-(4-phenylquinazolin-2-yl)-9-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene.

Molecular Properties

Compound Name5,20-dimethyl-24-(4-phenylquinazolin-2-yl)-9-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene
PubChem CID146214208
Molecular FormulaC38H25N3O
Molecular Weight539.64 g/mol
Exact Mass539.20
IUPAC Name5,20-dimethyl-24-(4-phenylquinazolin-2-yl)-9-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene
SMILESCc1ccc2oc3c4ccccc4c4c5cc(C)ccc5n(-c5nc(-c6ccccc6)c6ccccc6n5)c4c3c2c1
InChIInChI=1S/C38H25N3O/c1-22-16-18-31-28(20-22)33-25-12-6-7-13-26(25)37-34(29-21-23(2)17-19-32(29)42-37)36(33)41(31)38-39-30-15-9-8-14-27(30)35(40-38)24-10-4-3-5-11-24/h3-21H,1-2H3
InChIKeyCOQQSHHPNILTQG-UHFFFAOYSA-N
XLogP10.06
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.64
LogP ≤ 510.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5,20-dimethyl-24-(4-phenylquinazolin-2-yl)-9-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene with MolForge

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Related Compounds

20-phenyl-24-[4-(4-phenylphenyl)quinazolin-2-yl]-3-oxa-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 129292575
12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 126580317
24-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-3-oxa-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;24-[4,6-bis(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-3-oxa-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;24-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-oxa-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;24-(4-phenylquinazolin-2-yl)-3-oxa-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 159019917
6-carbazol-9-yl-24-(4-phenylquinazolin-2-yl)-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 155335799
3-(9-phenylcarbazol-3-yl)-12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 90050449
18-(9-methyldibenzofuran-2-yl)-21-(4-phenylquinazolin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 139421573
19-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-4-methyl-21-(4-phenylquinazolin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene
CID 142569030
18-(4-dibenzofuran-2-ylquinazolin-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 118672656
24-(4-phenylquinazolin-2-yl)-3-oxa-13,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11(16),12,14,18,20,22-undecaene
CID 134361385
3-methyl-12-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 163974052
18-[4-[3-[6-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazol-3-yl]phenyl]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 146615811
3-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-15-yl)-9-(4-phenylquinazolin-2-yl)carbazole
CID 154595778

Frequently Asked Questions

What is the IUPAC name of 5,20-dimethyl-24-(4-phenylquinazolin-2-yl)-9-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene?
The IUPAC name of 5,20-dimethyl-24-(4-phenylquinazolin-2-yl)-9-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene (CID 146214208) is 5,20-dimethyl-24-(4-phenylquinazolin-2-yl)-9-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene.
What is the SMILES notation for 5,20-dimethyl-24-(4-phenylquinazolin-2-yl)-9-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene?
The canonical SMILES for 5,20-dimethyl-24-(4-phenylquinazolin-2-yl)-9-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene is Cc1ccc2oc3c4ccccc4c4c5cc(C)ccc5n(-c5nc(-c6ccccc6)c6ccccc6n5)c4c3c2c1.
What is the InChIKey of 5,20-dimethyl-24-(4-phenylquinazolin-2-yl)-9-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene?
The InChIKey is COQQSHHPNILTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25N3O/c1-22-16-18-31-28(20-22)33-25-12-6-7-13-26(25)37-34(29-21-23(2)17-19-32(29)42-37)36(33)41(31)38-39-30-15-9-8-14-27(30)35(40-38)24-10-4-3-5-11-24/h3-21H,1-2H3.
What are the key properties of 5,20-dimethyl-24-(4-phenylquinazolin-2-yl)-9-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene?
5,20-dimethyl-24-(4-phenylquinazolin-2-yl)-9-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene has a molecular weight of 539.64 g/mol, XLogP of 10.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,20-dimethyl-24-(4-phenylquinazolin-2-yl)-9-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene is sourced from PubChem (CID 146214208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).