8-[4-[4-(8,16,23-triazapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2,4,6,9,11,13,15,17,19,21-undecaen-8-yl)phenyl]phenyl]-8,16,23-triazapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2,4,6,9,11,13,15,17,19,21-undecaene

C52H32N6 — CID 134998086

IUPAC8-[4-[4-(8,16,23-triazapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2,4,6,9,11,13,15,17,19,21-undecaen-8-yl)phenyl]phenyl]-8,16,23-triazapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2,4,6,9,11,13,15,17,19,21-undecaene
SMILESc1ccc2c(c1)-c1nc3ccccc3nc1-c1ccccc1N2c1ccc(-c2ccc(N3c4ccccc4-c4nc5ccccc5nc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C52H32N6/c1-9-21-45-37(13-1)49-50(54-42-18-6-5-17-41(42)53-49)38-14-2-10-22-46(38)57(45)35-29-25-33(26-30-35)34-27-31-36(32-28-34)58-47-23-11-3-15-39(47)51-52(40-16-4-12-24-48(40)58)56-44-20-8-7-19-43(44)55-51/h1-32H
InChIKeyQXYOMPRJZFOYJM-UHFFFAOYSA-N
MW740.87 g/mol
LogP13.47
Rot. Bonds3

About 8-[4-[4-(8,16,23-triazapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2,4,6,9,11,13,15,17,19,21-undecaen-8-yl)phenyl]phenyl]-8,16,23-triazapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2,4,6,9,11,13,15,17,19,21-undecaene

8-[4-[4-(8,16,23-triazapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2,4,6,9,11,13,15,17,19,21-undecaen-8-yl)phenyl]phenyl]-8,16,23-triazapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2,4,6,9,11,13,15,17,19,21-undecaene (PubChem CID 134998086) has the molecular formula C52H32N6 and a molecular weight of 740.87 g/mol. Its IUPAC name is 8-[4-[4-(8,16,23-triazapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2,4,6,9,11,13,15,17,19,21-undecaen-8-yl)phenyl]phenyl]-8,16,23-triazapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2,4,6,9,11,13,15,17,19,21-undecaene.

Molecular Properties

Compound Name8-[4-[4-(8,16,23-triazapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2,4,6,9,11,13,15,17,19,21-undecaen-8-yl)phenyl]phenyl]-8,16,23-triazapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2,4,6,9,11,13,15,17,19,21-undecaene
PubChem CID134998086
Molecular FormulaC52H32N6
Molecular Weight740.87 g/mol
Exact Mass740.27
IUPAC Name8-[4-[4-(8,16,23-triazapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2,4,6,9,11,13,15,17,19,21-undecaen-8-yl)phenyl]phenyl]-8,16,23-triazapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2,4,6,9,11,13,15,17,19,21-undecaene
SMILESc1ccc2c(c1)-c1nc3ccccc3nc1-c1ccccc1N2c1ccc(-c2ccc(N3c4ccccc4-c4nc5ccccc5nc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C52H32N6/c1-9-21-45-37(13-1)49-50(54-42-18-6-5-17-41(42)53-49)38-14-2-10-22-46(38)57(45)35-29-25-33(26-30-35)34-27-31-36(32-28-34)58-47-23-11-3-15-39(47)51-52(40-16-4-12-24-48(40)58)56-44-20-8-7-19-43(44)55-51/h1-32H
InChIKeyQXYOMPRJZFOYJM-UHFFFAOYSA-N
XLogP13.47
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.87
LogP ≤ 513.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-[4-[4-(8,16,23-triazapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2,4,6,9,11,13,15,17,19,21-undecaen-8-yl)phenyl]phenyl]-8,16,23-triazapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2,4,6,9,11,13,15,17,19,21-undecaene with MolForge

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Related Compounds

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13-[4-[4-(4-oxa-13-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2,5,7,9,11,14,16-octaen-13-yl)phenyl]phenyl]-4-oxa-13-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2,5,7,9,11,14,16-octaene
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4-[4-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)phenyl]-N,N-bis[4-[4-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)phenyl]phenyl]aniline
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14-phenyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
CID 118216060
2-[4-(10-phenylphenazin-5-yl)phenyl]-1,3-benzothiazole
CID 118335132
2-[4-(4-carbazol-9-ylphenyl)phenyl]-2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaene
CID 134604653
14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
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14-phenyl-11-(4-phenylquinazolin-2-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
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14-phenyl-10-(4-phenylquinazolin-2-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
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14-[4-[5-[5-[4-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
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2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaene
CID 134604644

Frequently Asked Questions

What is the IUPAC name of 8-[4-[4-(8,16,23-triazapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2,4,6,9,11,13,15,17,19,21-undecaen-8-yl)phenyl]phenyl]-8,16,23-triazapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2,4,6,9,11,13,15,17,19,21-undecaene?
The IUPAC name of 8-[4-[4-(8,16,23-triazapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2,4,6,9,11,13,15,17,19,21-undecaen-8-yl)phenyl]phenyl]-8,16,23-triazapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2,4,6,9,11,13,15,17,19,21-undecaene (CID 134998086) is 8-[4-[4-(8,16,23-triazapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2,4,6,9,11,13,15,17,19,21-undecaen-8-yl)phenyl]phenyl]-8,16,23-triazapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2,4,6,9,11,13,15,17,19,21-undecaene.
What is the SMILES notation for 8-[4-[4-(8,16,23-triazapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2,4,6,9,11,13,15,17,19,21-undecaen-8-yl)phenyl]phenyl]-8,16,23-triazapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2,4,6,9,11,13,15,17,19,21-undecaene?
The canonical SMILES for 8-[4-[4-(8,16,23-triazapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2,4,6,9,11,13,15,17,19,21-undecaen-8-yl)phenyl]phenyl]-8,16,23-triazapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2,4,6,9,11,13,15,17,19,21-undecaene is c1ccc2c(c1)-c1nc3ccccc3nc1-c1ccccc1N2c1ccc(-c2ccc(N3c4ccccc4-c4nc5ccccc5nc4-c4ccccc43)cc2)cc1.
What is the InChIKey of 8-[4-[4-(8,16,23-triazapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2,4,6,9,11,13,15,17,19,21-undecaen-8-yl)phenyl]phenyl]-8,16,23-triazapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2,4,6,9,11,13,15,17,19,21-undecaene?
The InChIKey is QXYOMPRJZFOYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N6/c1-9-21-45-37(13-1)49-50(54-42-18-6-5-17-41(42)53-49)38-14-2-10-22-46(38)57(45)35-29-25-33(26-30-35)34-27-31-36(32-28-34)58-47-23-11-3-15-39(47)51-52(40-16-4-12-24-48(40)58)56-44-20-8-7-19-43(44)55-51/h1-32H.
What are the key properties of 8-[4-[4-(8,16,23-triazapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2,4,6,9,11,13,15,17,19,21-undecaen-8-yl)phenyl]phenyl]-8,16,23-triazapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2,4,6,9,11,13,15,17,19,21-undecaene?
8-[4-[4-(8,16,23-triazapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2,4,6,9,11,13,15,17,19,21-undecaen-8-yl)phenyl]phenyl]-8,16,23-triazapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2,4,6,9,11,13,15,17,19,21-undecaene has a molecular weight of 740.87 g/mol, XLogP of 13.47, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[4-(8,16,23-triazapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2,4,6,9,11,13,15,17,19,21-undecaen-8-yl)phenyl]phenyl]-8,16,23-triazapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2,4,6,9,11,13,15,17,19,21-undecaene is sourced from PubChem (CID 134998086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).