4-[4-[2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-15-oxa-4,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene

C75H47N5O — CID 155179869

IUPAC4-[4-[2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-15-oxa-4,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5-c5ccc(-n6c7ccccc7c7ccc8oc9c(ccc%10[nH]c%11ccccc%11c%109)c8c76)cc5)cc4)cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc2)cc1
InChIInChI=1S/C75H47N5O/c1-4-16-47(17-5-1)48-28-30-49(31-29-48)55-44-56(46-57(45-55)75-78-73(53-18-6-2-7-19-53)77-74(79-75)54-20-8-3-9-21-54)50-32-34-51(35-33-50)59-22-10-11-23-60(59)52-36-38-58(39-37-52)80-67-27-15-13-24-61(67)62-41-43-68-70(71(62)80)64-40-42-66-69(72(64)81-68)63-25-12-14-26-65(63)76-66/h1-46,76H
InChIKeyCKBUXHFMJPYKKE-UHFFFAOYSA-N
MW1034.23 g/mol
LogP19.84
Rot. Bonds9

About 4-[4-[2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-15-oxa-4,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene

4-[4-[2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-15-oxa-4,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene (PubChem CID 155179869) has the molecular formula C75H47N5O and a molecular weight of 1034.23 g/mol. Its IUPAC name is 4-[4-[2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-15-oxa-4,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene.

Molecular Properties

Compound Name4-[4-[2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-15-oxa-4,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
PubChem CID155179869
Molecular FormulaC75H47N5O
Molecular Weight1034.23 g/mol
Exact Mass1033.38
IUPAC Name4-[4-[2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-15-oxa-4,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5-c5ccc(-n6c7ccccc7c7ccc8oc9c(ccc%10[nH]c%11ccccc%11c%109)c8c76)cc5)cc4)cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc2)cc1
InChIInChI=1S/C75H47N5O/c1-4-16-47(17-5-1)48-28-30-49(31-29-48)55-44-56(46-57(45-55)75-78-73(53-18-6-2-7-19-53)77-74(79-75)54-20-8-3-9-21-54)50-32-34-51(35-33-50)59-22-10-11-23-60(59)52-36-38-58(39-37-52)80-67-27-15-13-24-61(67)62-41-43-68-70(71(62)80)64-40-42-66-69(72(64)81-68)63-25-12-14-26-65(63)76-66/h1-46,76H
InChIKeyCKBUXHFMJPYKKE-UHFFFAOYSA-N
XLogP19.84
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001034.23
LogP ≤ 519.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[4-[2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-15-oxa-4,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene with MolForge

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Related Compounds

4-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 164705596
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(4-phenylphenyl)-[1]benzofuro[3,2-a]carbazole
CID 163629204
12-[4-(3-phenylphenyl)phenyl]-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole
CID 163977496
1-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 163904282
12-phenyl-3-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-a]carbazole
CID 163960395
4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 163746946
1-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;1-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-(4-phenylphenyl)-[1]benzofuro[3,2-a]carbazole;1-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 163485855
5-[4-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-12-[4-(3,5-diphenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 146407362
4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylphenyl)-2-pyridinyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 153459567
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,12-diphenyl-[1]benzofuro[3,2-a]carbazole
CID 163848310
5-[4-[3-[6-[3-[3-[4-(5H-indolo[3,2-c]carbazol-12-yl)phenyl]phenyl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 156556355
2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenylphenyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenylphenyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenylphenyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 162187860

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-15-oxa-4,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene?
The IUPAC name of 4-[4-[2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-15-oxa-4,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene (CID 155179869) is 4-[4-[2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-15-oxa-4,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene.
What is the SMILES notation for 4-[4-[2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-15-oxa-4,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene?
The canonical SMILES for 4-[4-[2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-15-oxa-4,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5-c5ccc(-n6c7ccccc7c7ccc8oc9c(ccc%10[nH]c%11ccccc%11c%109)c8c76)cc5)cc4)cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc2)cc1.
What is the InChIKey of 4-[4-[2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-15-oxa-4,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene?
The InChIKey is CKBUXHFMJPYKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H47N5O/c1-4-16-47(17-5-1)48-28-30-49(31-29-48)55-44-56(46-57(45-55)75-78-73(53-18-6-2-7-19-53)77-74(79-75)54-20-8-3-9-21-54)50-32-34-51(35-33-50)59-22-10-11-23-60(59)52-36-38-58(39-37-52)80-67-27-15-13-24-61(67)62-41-43-68-70(71(62)80)64-40-42-66-69(72(64)81-68)63-25-12-14-26-65(63)76-66/h1-46,76H.
What are the key properties of 4-[4-[2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-15-oxa-4,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene?
4-[4-[2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-15-oxa-4,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene has a molecular weight of 1034.23 g/mol, XLogP of 19.84, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-15-oxa-4,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene is sourced from PubChem (CID 155179869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).