7-[4-[2-(24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)benzimidazol-1-yl]phenyl]-24-(1-phenylbenzimidazol-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

C70H40N6O2 — CID 130369552

IUPAC7-[4-[2-(24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)benzimidazol-1-yl]phenyl]-24-(1-phenylbenzimidazol-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
SMILESc1ccc(-n2c(-n3c4ccccc4c4c5ccccc5c5c6cc(-c7ccc(-n8c(-n9c%10ccccc%10c%10c%11oc%12ccccc%12c%11c%11ccccc%11c%109)nc9ccccc98)cc7)ccc6oc5c43)nc3ccccc32)cc1
InChIInChI=1S/C70H40N6O2/c1-2-18-43(19-3-1)73-57-31-15-11-27-53(57)72-70(73)76-55-29-13-8-24-49(55)61-45-20-4-5-21-46(45)63-52-40-42(36-39-60(52)78-68(63)66(61)76)41-34-37-44(38-35-41)74-58-32-16-12-28-54(58)71-69(74)75-56-30-14-9-25-50(56)64-65(75)48-23-7-6-22-47(48)62-51-26-10-17-33-59(51)77-67(62)64/h1-40H
InChIKeyZGAXVCVHAVTVLZ-UHFFFAOYSA-N
MW997.13 g/mol
LogP18.33
Rot. Bonds5

About 7-[4-[2-(24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)benzimidazol-1-yl]phenyl]-24-(1-phenylbenzimidazol-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

7-[4-[2-(24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)benzimidazol-1-yl]phenyl]-24-(1-phenylbenzimidazol-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 (PubChem CID 130369552) has the molecular formula C70H40N6O2 and a molecular weight of 997.13 g/mol. Its IUPAC name is 7-[4-[2-(24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)benzimidazol-1-yl]phenyl]-24-(1-phenylbenzimidazol-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.

Molecular Properties

Compound Name7-[4-[2-(24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)benzimidazol-1-yl]phenyl]-24-(1-phenylbenzimidazol-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
PubChem CID130369552
Molecular FormulaC70H40N6O2
Molecular Weight997.13 g/mol
Exact Mass996.32
IUPAC Name7-[4-[2-(24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)benzimidazol-1-yl]phenyl]-24-(1-phenylbenzimidazol-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
SMILESc1ccc(-n2c(-n3c4ccccc4c4c5ccccc5c5c6cc(-c7ccc(-n8c(-n9c%10ccccc%10c%10c%11oc%12ccccc%12c%11c%11ccccc%11c%109)nc9ccccc98)cc7)ccc6oc5c43)nc3ccccc32)cc1
InChIInChI=1S/C70H40N6O2/c1-2-18-43(19-3-1)73-57-31-15-11-27-53(57)72-70(73)76-55-29-13-8-24-49(55)61-45-20-4-5-21-46(45)63-52-40-42(36-39-60(52)78-68(63)66(61)76)41-34-37-44(38-35-41)74-58-32-16-12-28-54(58)71-69(74)75-56-30-14-9-25-50(56)64-65(75)48-23-7-6-22-47(48)62-51-26-10-17-33-59(51)77-67(62)64/h1-40H
InChIKeyZGAXVCVHAVTVLZ-UHFFFAOYSA-N
XLogP18.33
TPSA71.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500997.13
LogP ≤ 518.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-[4-[2-(24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)benzimidazol-1-yl]phenyl]-24-(1-phenylbenzimidazol-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[4-[2-(24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)benzimidazol-1-yl]phenyl]-24-(1-phenylbenzimidazol-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?
The IUPAC name of 7-[4-[2-(24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)benzimidazol-1-yl]phenyl]-24-(1-phenylbenzimidazol-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 130369552) is 7-[4-[2-(24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)benzimidazol-1-yl]phenyl]-24-(1-phenylbenzimidazol-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.
What is the SMILES notation for 7-[4-[2-(24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)benzimidazol-1-yl]phenyl]-24-(1-phenylbenzimidazol-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?
The canonical SMILES for 7-[4-[2-(24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)benzimidazol-1-yl]phenyl]-24-(1-phenylbenzimidazol-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 is c1ccc(-n2c(-n3c4ccccc4c4c5ccccc5c5c6cc(-c7ccc(-n8c(-n9c%10ccccc%10c%10c%11oc%12ccccc%12c%11c%11ccccc%11c%109)nc9ccccc98)cc7)ccc6oc5c43)nc3ccccc32)cc1.
What is the InChIKey of 7-[4-[2-(24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)benzimidazol-1-yl]phenyl]-24-(1-phenylbenzimidazol-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?
The InChIKey is ZGAXVCVHAVTVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H40N6O2/c1-2-18-43(19-3-1)73-57-31-15-11-27-53(57)72-70(73)76-55-29-13-8-24-49(55)61-45-20-4-5-21-46(45)63-52-40-42(36-39-60(52)78-68(63)66(61)76)41-34-37-44(38-35-41)74-58-32-16-12-28-54(58)71-69(74)75-56-30-14-9-25-50(56)64-65(75)48-23-7-6-22-47(48)62-51-26-10-17-33-59(51)77-67(62)64/h1-40H.
What are the key properties of 7-[4-[2-(24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)benzimidazol-1-yl]phenyl]-24-(1-phenylbenzimidazol-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?
7-[4-[2-(24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)benzimidazol-1-yl]phenyl]-24-(1-phenylbenzimidazol-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 has a molecular weight of 997.13 g/mol, XLogP of 18.33, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[2-(24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)benzimidazol-1-yl]phenyl]-24-(1-phenylbenzimidazol-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 is sourced from PubChem (CID 130369552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).