26-[3-[3-phenyl-5-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene

C60H37NO — CID 166023592

IUPAC26-[3-[3-phenyl-5-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene
SMILESc1ccc(-c2cccc(-c3cccc(-c4cc(-c5ccccc5)cc(-c5cccc(-n6c7cccc8c9ccccc9c9cccc%10oc%11ccc6c(c%11c%109)c87)c5)c4)c3)c2)cc1
InChIInChI=1S/C60H37NO/c1-3-14-38(15-4-1)40-18-9-19-41(32-40)42-20-10-21-43(33-42)46-34-45(39-16-5-2-6-17-39)35-47(36-46)44-22-11-23-48(37-44)61-53-28-12-26-51-49-24-7-8-25-50(49)52-27-13-29-55-58(52)60-56(62-55)31-30-54(61)59(60)57(51)53/h1-37H/b51-49-,52-50-
InChIKeyKZQPGKJVJAMBRM-XXPLXOPUSA-N
MW787.96 g/mol
LogP16.76
Rot. Bonds6

About 26-[3-[3-phenyl-5-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene

26-[3-[3-phenyl-5-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene (PubChem CID 166023592) has the molecular formula C60H37NO and a molecular weight of 787.96 g/mol. Its IUPAC name is 26-[3-[3-phenyl-5-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene.

Molecular Properties

Compound Name26-[3-[3-phenyl-5-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene
PubChem CID166023592
Molecular FormulaC60H37NO
Molecular Weight787.96 g/mol
Exact Mass787.29
IUPAC Name26-[3-[3-phenyl-5-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene
SMILESc1ccc(-c2cccc(-c3cccc(-c4cc(-c5ccccc5)cc(-c5cccc(-n6c7cccc8c9ccccc9c9cccc%10oc%11ccc6c(c%11c%109)c87)c5)c4)c3)c2)cc1
InChIInChI=1S/C60H37NO/c1-3-14-38(15-4-1)40-18-9-19-41(32-40)42-20-10-21-43(33-42)46-34-45(39-16-5-2-6-17-39)35-47(36-46)44-22-11-23-48(37-44)61-53-28-12-26-51-49-24-7-8-25-50(49)52-27-13-29-55-58(52)60-56(62-55)31-30-54(61)59(60)57(51)53/h1-37H/b51-49-,52-50-
InChIKeyKZQPGKJVJAMBRM-XXPLXOPUSA-N
XLogP16.76
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.96
LogP ≤ 516.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 26-[3-[3-phenyl-5-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene with MolForge

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Related Compounds

9-dibenzofuran-2-yl-14-[3-(3-phenylphenyl)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 166961355
26-[4-(2-phenylphenyl)phenyl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene
CID 154692426
9-(3-phenylphenyl)-14-[3-(3-phenylphenyl)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 138747357
19-[3-[3-(19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-19-yl)phenyl]phenyl]-19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaene
CID 88951349
14-(4,6-diphenyl-1,3,5-triazin-2-yl)-26-phenyl-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12(17),13,15,18(23),19,21-dodecaene
CID 158972416
26-[4-[4-(3-dibenzofuran-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene
CID 166023613
9,14-bis(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;9-(3,5-diphenylphenyl)-14-(3-phenylphenyl)-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;9-phenyl-14-[3-(3-phenylphenyl)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 162231866
3-[9-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-3-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 169060870
14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 147983982
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazole
CID 129265423
3-(9-phenylcarbazol-3-yl)-9-(8-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1(18),2,4,6(11),7,9,12(17),13,15-nonaen-4-yl)carbazole
CID 169060676
25-[3-(3,5-diphenylphenyl)phenyl]-26,26-dimethyl-25-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene
CID 163742292

Frequently Asked Questions

What is the IUPAC name of 26-[3-[3-phenyl-5-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene?
The IUPAC name of 26-[3-[3-phenyl-5-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene (CID 166023592) is 26-[3-[3-phenyl-5-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene.
What is the SMILES notation for 26-[3-[3-phenyl-5-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene?
The canonical SMILES for 26-[3-[3-phenyl-5-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene is c1ccc(-c2cccc(-c3cccc(-c4cc(-c5ccccc5)cc(-c5cccc(-n6c7cccc8c9ccccc9c9cccc%10oc%11ccc6c(c%11c%109)c87)c5)c4)c3)c2)cc1.
What is the InChIKey of 26-[3-[3-phenyl-5-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene?
The InChIKey is KZQPGKJVJAMBRM-XXPLXOPUSA-N. The full InChI is InChI=1S/C60H37NO/c1-3-14-38(15-4-1)40-18-9-19-41(32-40)42-20-10-21-43(33-42)46-34-45(39-16-5-2-6-17-39)35-47(36-46)44-22-11-23-48(37-44)61-53-28-12-26-51-49-24-7-8-25-50(49)52-27-13-29-55-58(52)60-56(62-55)31-30-54(61)59(60)57(51)53/h1-37H/b51-49-,52-50-.
What are the key properties of 26-[3-[3-phenyl-5-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene?
26-[3-[3-phenyl-5-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene has a molecular weight of 787.96 g/mol, XLogP of 16.76, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 26-[3-[3-phenyl-5-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene is sourced from PubChem (CID 166023592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).