6-methoxy-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene

C25H18N2O — CID 140955524

IUPAC6-methoxy-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
SMILESCOc1ccc2c(c1)[nH]c1ccc3c(c4ccccc4n3-c3ccccc3)c12
InChIInChI=1S/C25H18N2O/c1-28-17-11-12-18-21(15-17)26-20-13-14-23-25(24(18)20)19-9-5-6-10-22(19)27(23)16-7-3-2-4-8-16/h2-15,26H,1H3
InChIKeySCLHRTMMVTYBJX-UHFFFAOYSA-N
MW362.43 g/mol
LogP6.43
Rot. Bonds2

About 6-methoxy-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene

6-methoxy-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene (PubChem CID 140955524) has the molecular formula C25H18N2O and a molecular weight of 362.43 g/mol. Its IUPAC name is 6-methoxy-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene.

Molecular Properties

Compound Name6-methoxy-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
PubChem CID140955524
Molecular FormulaC25H18N2O
Molecular Weight362.43 g/mol
Exact Mass362.14
IUPAC Name6-methoxy-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
SMILESCOc1ccc2c(c1)[nH]c1ccc3c(c4ccccc4n3-c3ccccc3)c12
InChIInChI=1S/C25H18N2O/c1-28-17-11-12-18-21(15-17)26-20-13-14-23-25(24(18)20)19-9-5-6-10-22(19)27(23)16-7-3-2-4-8-16/h2-15,26H,1H3
InChIKeySCLHRTMMVTYBJX-UHFFFAOYSA-N
XLogP6.43
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.43
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-methoxy-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene with MolForge

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Related Compounds

9-phenyl-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 118509099
9-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 139336780
6-(1-methylbenzimidazol-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 176782995
2,9-dimethoxy-5-phenyl-12H-quinolino[2,3-b]acridine-7,14-dione
CID 139796238
9-(3,5-diphenylphenyl)-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 169059406
11,19-diphenyl-11,15,19-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 139504800
17-(4-methoxyphenyl)-35-(4-methylphenyl)-8,26-diphenyl-8,26-diazanonacyclo[19.15.0.03,19.04,16.07,15.09,14.022,34.025,33.027,32]hexatriaconta-1,3,5,7(15),9,11,13,16,18,20,22(34),23,25(33),27,29,31,35-heptadecaene
CID 89416939
4,19-diphenyl-4,15,19-triazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene
CID 139504777
3-(9-phenylcarbazol-3-yl)-6-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-carbazole
CID 59307187
6-methoxy-1-phenylquinazoline-2,4-dione
CID 177394173
5,11-diphenyl-2-(9-phenylcarbazol-3-yl)indolo[3,2-b]carbazole;9,14-diphenyl-6-[3-(9-phenylcarbazol-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;9,14-diphenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 159229324
N-(4-methoxyphenyl)-N-[4-[4-(4-methoxy-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-9-phenylcarbazol-3-amine
CID 58651978

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?
The IUPAC name of 6-methoxy-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene (CID 140955524) is 6-methoxy-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene.
What is the SMILES notation for 6-methoxy-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?
The canonical SMILES for 6-methoxy-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene is COc1ccc2c(c1)[nH]c1ccc3c(c4ccccc4n3-c3ccccc3)c12.
What is the InChIKey of 6-methoxy-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?
The InChIKey is SCLHRTMMVTYBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O/c1-28-17-11-12-18-21(15-17)26-20-13-14-23-25(24(18)20)19-9-5-6-10-22(19)27(23)16-7-3-2-4-8-16/h2-15,26H,1H3.
What are the key properties of 6-methoxy-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?
6-methoxy-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene has a molecular weight of 362.43 g/mol, XLogP of 6.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene is sourced from PubChem (CID 140955524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).