2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenylspiro[6-oxa-15-azaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene-24,9'-fluorene]

C58H34N4O — CID 155348505

IUPAC2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenylspiro[6-oxa-15-azaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene-24,9'-fluorene]
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4c3ccc3c5ccc6oc7ccccc7c6c5n(-c5ccccc5)c43)n2)cc1
InChIInChI=1S/C58H34N4O/c1-4-16-35(17-5-1)55-59-56(36-18-6-2-7-19-36)61-57(60-55)37-28-29-40-39-22-10-13-25-45(39)58(48(40)34-37)46-26-14-11-23-43(46)51-47(58)32-30-41-42-31-33-50-52(44-24-12-15-27-49(44)63-50)54(42)62(53(41)51)38-20-8-3-9-21-38/h1-34H
InChIKeyXGEVXONBFLPNOO-UHFFFAOYSA-N
MW802.94 g/mol
LogP14.21
Rot. Bonds4

About 2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenylspiro[6-oxa-15-azaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene-24,9'-fluorene]

2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenylspiro[6-oxa-15-azaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene-24,9'-fluorene] (PubChem CID 155348505) has the molecular formula C58H34N4O and a molecular weight of 802.94 g/mol. Its IUPAC name is 2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenylspiro[6-oxa-15-azaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene-24,9'-fluorene].

Molecular Properties

Compound Name2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenylspiro[6-oxa-15-azaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene-24,9'-fluorene]
PubChem CID155348505
Molecular FormulaC58H34N4O
Molecular Weight802.94 g/mol
Exact Mass802.27
IUPAC Name2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenylspiro[6-oxa-15-azaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene-24,9'-fluorene]
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4c3ccc3c5ccc6oc7ccccc7c6c5n(-c5ccccc5)c43)n2)cc1
InChIInChI=1S/C58H34N4O/c1-4-16-35(17-5-1)55-59-56(36-18-6-2-7-19-36)61-57(60-55)37-28-29-40-39-22-10-13-25-45(39)58(48(40)34-37)46-26-14-11-23-43(46)51-47(58)32-30-41-42-31-33-50-52(44-24-12-15-27-49(44)63-50)54(42)62(53(41)51)38-20-8-3-9-21-38/h1-34H
InChIKeyXGEVXONBFLPNOO-UHFFFAOYSA-N
XLogP14.21
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.94
LogP ≤ 514.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenylspiro[6-oxa-15-azaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene-24,9'-fluorene] with MolForge

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Related Compounds

2,4-diphenyl-6-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-1,3,5-triazine
CID 134573663
12'-[3-(6-dibenzofuran-1-yl-2-phenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 130327316
2,4-diphenyl-6-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine
CID 134573670
12'-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 155159191
3'-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-12'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 154602219
12'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 90247208
12'-[4-[4-(3-carbazol-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 169014741
12'-[4,6-bis(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 90247348
9-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]
CID 169014201
2,4-diphenyl-6-[1-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran-2-yl]-1,3,5-triazine
CID 153284122
2-dibenzofuran-1-yl-4-(4-phenylphenyl)-6-[8-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002722
12'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-1-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 155158590

Frequently Asked Questions

What is the IUPAC name of 2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenylspiro[6-oxa-15-azaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene-24,9'-fluorene]?
The IUPAC name of 2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenylspiro[6-oxa-15-azaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene-24,9'-fluorene] (CID 155348505) is 2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenylspiro[6-oxa-15-azaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene-24,9'-fluorene].
What is the SMILES notation for 2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenylspiro[6-oxa-15-azaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene-24,9'-fluorene]?
The canonical SMILES for 2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenylspiro[6-oxa-15-azaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene-24,9'-fluorene] is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4c3ccc3c5ccc6oc7ccccc7c6c5n(-c5ccccc5)c43)n2)cc1.
What is the InChIKey of 2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenylspiro[6-oxa-15-azaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene-24,9'-fluorene]?
The InChIKey is XGEVXONBFLPNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34N4O/c1-4-16-35(17-5-1)55-59-56(36-18-6-2-7-19-36)61-57(60-55)37-28-29-40-39-22-10-13-25-45(39)58(48(40)34-37)46-26-14-11-23-43(46)51-47(58)32-30-41-42-31-33-50-52(44-24-12-15-27-49(44)63-50)54(42)62(53(41)51)38-20-8-3-9-21-38/h1-34H.
What are the key properties of 2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenylspiro[6-oxa-15-azaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene-24,9'-fluorene]?
2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenylspiro[6-oxa-15-azaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene-24,9'-fluorene] has a molecular weight of 802.94 g/mol, XLogP of 14.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenylspiro[6-oxa-15-azaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene-24,9'-fluorene] is sourced from PubChem (CID 155348505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).