5,18-bis(1-phenylbenzimidazol-2-yl)-12,25-diazaheptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-1,3(14),4,6,8,10,15,17,19,21,23-undecaene

C50H32N6 — CID 21301912

IUPAC5,18-bis(1-phenylbenzimidazol-2-yl)-12,25-diazaheptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-1,3(14),4,6,8,10,15,17,19,21,23-undecaene
SMILESc1ccc(-n2c(-c3c4n(c5ccccc35)Cc3cc5c(cc3-4)Cn3c-5c(-c4nc5ccccc5n4-c4ccccc4)c4ccccc43)nc3ccccc32)cc1
InChIInChI=1S/C50H32N6/c1-3-15-33(16-4-1)55-43-25-13-9-21-39(43)51-49(55)45-35-19-7-11-23-41(35)53-29-31-28-38-32(27-37(31)47(45)53)30-54-42-24-12-8-20-36(42)46(48(38)54)50-52-40-22-10-14-26-44(40)56(50)34-17-5-2-6-18-34/h1-28H,29-30H2
InChIKeyCPRXLUBRXBELFM-UHFFFAOYSA-N
MW716.85 g/mol
LogP11.67
Rot. Bonds4

About 5,18-bis(1-phenylbenzimidazol-2-yl)-12,25-diazaheptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-1,3(14),4,6,8,10,15,17,19,21,23-undecaene

5,18-bis(1-phenylbenzimidazol-2-yl)-12,25-diazaheptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-1,3(14),4,6,8,10,15,17,19,21,23-undecaene (PubChem CID 21301912) has the molecular formula C50H32N6 and a molecular weight of 716.85 g/mol. Its IUPAC name is 5,18-bis(1-phenylbenzimidazol-2-yl)-12,25-diazaheptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-1,3(14),4,6,8,10,15,17,19,21,23-undecaene.

Molecular Properties

Compound Name5,18-bis(1-phenylbenzimidazol-2-yl)-12,25-diazaheptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-1,3(14),4,6,8,10,15,17,19,21,23-undecaene
PubChem CID21301912
Molecular FormulaC50H32N6
Molecular Weight716.85 g/mol
Exact Mass716.27
IUPAC Name5,18-bis(1-phenylbenzimidazol-2-yl)-12,25-diazaheptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-1,3(14),4,6,8,10,15,17,19,21,23-undecaene
SMILESc1ccc(-n2c(-c3c4n(c5ccccc35)Cc3cc5c(cc3-4)Cn3c-5c(-c4nc5ccccc5n4-c4ccccc4)c4ccccc43)nc3ccccc32)cc1
InChIInChI=1S/C50H32N6/c1-3-15-33(16-4-1)55-43-25-13-9-21-39(43)51-49(55)45-35-19-7-11-23-41(35)53-29-31-28-38-32(27-37(31)47(45)53)30-54-42-24-12-8-20-36(42)46(48(38)54)50-52-40-22-10-14-26-44(40)56(50)34-17-5-2-6-18-34/h1-28H,29-30H2
InChIKeyCPRXLUBRXBELFM-UHFFFAOYSA-N
XLogP11.67
TPSA45.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.85
LogP ≤ 511.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5,18-bis(1-phenylbenzimidazol-2-yl)-12,25-diazaheptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-1,3(14),4,6,8,10,15,17,19,21,23-undecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,18-bis(1-phenylbenzimidazol-2-yl)-12,25-diazaheptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-1,3(14),4,6,8,10,15,17,19,21,23-undecaene?
The IUPAC name of 5,18-bis(1-phenylbenzimidazol-2-yl)-12,25-diazaheptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-1,3(14),4,6,8,10,15,17,19,21,23-undecaene (CID 21301912) is 5,18-bis(1-phenylbenzimidazol-2-yl)-12,25-diazaheptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-1,3(14),4,6,8,10,15,17,19,21,23-undecaene.
What is the SMILES notation for 5,18-bis(1-phenylbenzimidazol-2-yl)-12,25-diazaheptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-1,3(14),4,6,8,10,15,17,19,21,23-undecaene?
The canonical SMILES for 5,18-bis(1-phenylbenzimidazol-2-yl)-12,25-diazaheptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-1,3(14),4,6,8,10,15,17,19,21,23-undecaene is c1ccc(-n2c(-c3c4n(c5ccccc35)Cc3cc5c(cc3-4)Cn3c-5c(-c4nc5ccccc5n4-c4ccccc4)c4ccccc43)nc3ccccc32)cc1.
What is the InChIKey of 5,18-bis(1-phenylbenzimidazol-2-yl)-12,25-diazaheptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-1,3(14),4,6,8,10,15,17,19,21,23-undecaene?
The InChIKey is CPRXLUBRXBELFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N6/c1-3-15-33(16-4-1)55-43-25-13-9-21-39(43)51-49(55)45-35-19-7-11-23-41(35)53-29-31-28-38-32(27-37(31)47(45)53)30-54-42-24-12-8-20-36(42)46(48(38)54)50-52-40-22-10-14-26-44(40)56(50)34-17-5-2-6-18-34/h1-28H,29-30H2.
What are the key properties of 5,18-bis(1-phenylbenzimidazol-2-yl)-12,25-diazaheptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-1,3(14),4,6,8,10,15,17,19,21,23-undecaene?
5,18-bis(1-phenylbenzimidazol-2-yl)-12,25-diazaheptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-1,3(14),4,6,8,10,15,17,19,21,23-undecaene has a molecular weight of 716.85 g/mol, XLogP of 11.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,18-bis(1-phenylbenzimidazol-2-yl)-12,25-diazaheptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-1,3(14),4,6,8,10,15,17,19,21,23-undecaene is sourced from PubChem (CID 21301912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).