22-[4-(2,4-diphenylphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene

C58H38N4 — CID 169058284

IUPAC22-[4-(2,4-diphenylphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
SMILESCC1(C)c2cccc3c2-c2c1cc(-c1nc(-c4ccc5ccccc5c4)nc(-c4ccc(-c5ccccc5)cc4-c4ccccc4)n1)c1c4ccccc4n(c21)-c1ccccc1-3
InChIInChI=1S/C58H38N4/c1-58(2)47-25-15-24-42-41-22-11-13-26-49(41)62-50-27-14-12-23-44(50)51-46(34-48(58)53(52(42)47)54(51)62)57-60-55(40-29-28-36-18-9-10-21-38(36)32-40)59-56(61-57)43-31-30-39(35-16-5-3-6-17-35)33-45(43)37-19-7-4-8-20-37/h3-34H,1-2H3
InChIKeyDKPPNSHAYDVUMQ-UHFFFAOYSA-N
MW790.97 g/mol
LogP14.74
Rot. Bonds5

About 22-[4-(2,4-diphenylphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene

22-[4-(2,4-diphenylphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene (PubChem CID 169058284) has the molecular formula C58H38N4 and a molecular weight of 790.97 g/mol. Its IUPAC name is 22-[4-(2,4-diphenylphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene.

Molecular Properties

Compound Name22-[4-(2,4-diphenylphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
PubChem CID169058284
Molecular FormulaC58H38N4
Molecular Weight790.97 g/mol
Exact Mass790.31
IUPAC Name22-[4-(2,4-diphenylphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
SMILESCC1(C)c2cccc3c2-c2c1cc(-c1nc(-c4ccc5ccccc5c4)nc(-c4ccc(-c5ccccc5)cc4-c4ccccc4)n1)c1c4ccccc4n(c21)-c1ccccc1-3
InChIInChI=1S/C58H38N4/c1-58(2)47-25-15-24-42-41-22-11-13-26-49(41)62-50-27-14-12-23-44(50)51-46(34-48(58)53(52(42)47)54(51)62)57-60-55(40-29-28-36-18-9-10-21-38(36)32-40)59-56(61-57)43-31-30-39(35-16-5-3-6-17-35)33-45(43)37-19-7-4-8-20-37/h3-34H,1-2H3
InChIKeyDKPPNSHAYDVUMQ-UHFFFAOYSA-N
XLogP14.74
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.97
LogP ≤ 514.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 22-[4-(2,4-diphenylphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene with MolForge

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Related Compounds

22-[4-dibenzothiophen-3-yl-6-(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
CID 169058220
22-(4-chloro-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
CID 169058353
9-[2-[4-(9,9-dimethylfluoren-4-yl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 176851473
26-methyl-26-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaen-22-amine
CID 167225426
9-[5-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]-3-phenylcarbazole
CID 177287146
6-(9,9-dimethylfluoren-2-yl)-1-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 145327732
1-(7,7-dimethylbenzo[c]fluoren-10-yl)-9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
CID 142571330
12-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-(2,5-diphenylphenyl)indolo[2,3-a]carbazole
CID 165165482
9-[2-[4-naphthalen-2-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 170658932
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 162481673
1'-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-9',9'-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene];1'-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-9',9'-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene];1'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9',9'-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]
CID 158200877
24,24-dimethyl-3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 146741205

Frequently Asked Questions

What is the IUPAC name of 22-[4-(2,4-diphenylphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene?
The IUPAC name of 22-[4-(2,4-diphenylphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene (CID 169058284) is 22-[4-(2,4-diphenylphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene.
What is the SMILES notation for 22-[4-(2,4-diphenylphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene?
The canonical SMILES for 22-[4-(2,4-diphenylphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene is CC1(C)c2cccc3c2-c2c1cc(-c1nc(-c4ccc5ccccc5c4)nc(-c4ccc(-c5ccccc5)cc4-c4ccccc4)n1)c1c4ccccc4n(c21)-c1ccccc1-3.
What is the InChIKey of 22-[4-(2,4-diphenylphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene?
The InChIKey is DKPPNSHAYDVUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N4/c1-58(2)47-25-15-24-42-41-22-11-13-26-49(41)62-50-27-14-12-23-44(50)51-46(34-48(58)53(52(42)47)54(51)62)57-60-55(40-29-28-36-18-9-10-21-38(36)32-40)59-56(61-57)43-31-30-39(35-16-5-3-6-17-35)33-45(43)37-19-7-4-8-20-37/h3-34H,1-2H3.
What are the key properties of 22-[4-(2,4-diphenylphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene?
22-[4-(2,4-diphenylphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene has a molecular weight of 790.97 g/mol, XLogP of 14.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 22-[4-(2,4-diphenylphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene is sourced from PubChem (CID 169058284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).