12'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-1-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]

C59H36N4O — CID 155158590

IUPAC12'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-1-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
SMILESCc1cc(-n2c3ccccc3c3ccc4c(c32)-c2ccccc2C42c3ccccc3-c3ccccc32)c2c(oc3ccccc32)c1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C59H36N4O/c1-35-34-49(53-43-26-12-17-31-50(43)64-55(53)51(35)58-61-56(36-18-4-2-5-19-36)60-57(62-58)37-20-6-3-7-21-37)63-48-30-16-11-24-40(48)41-32-33-47-52(54(41)63)42-25-10-15-29-46(42)59(47)44-27-13-8-22-38(44)39-23-9-14-28-45(39)59/h2-34H,1H3
InChIKeySFYKNQAESWRJCI-UHFFFAOYSA-N
MW816.96 g/mol
LogP14.52
Rot. Bonds4

About 12'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-1-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]

12'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-1-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole] (PubChem CID 155158590) has the molecular formula C59H36N4O and a molecular weight of 816.96 g/mol. Its IUPAC name is 12'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-1-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole].

Molecular Properties

Compound Name12'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-1-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
PubChem CID155158590
Molecular FormulaC59H36N4O
Molecular Weight816.96 g/mol
Exact Mass816.29
IUPAC Name12'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-1-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
SMILESCc1cc(-n2c3ccccc3c3ccc4c(c32)-c2ccccc2C42c3ccccc3-c3ccccc32)c2c(oc3ccccc32)c1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C59H36N4O/c1-35-34-49(53-43-26-12-17-31-50(43)64-55(53)51(35)58-61-56(36-18-4-2-5-19-36)60-57(62-58)37-20-6-3-7-21-37)63-48-30-16-11-24-40(48)41-32-33-47-52(54(41)63)42-25-10-15-29-46(42)59(47)44-27-13-8-22-38(44)39-23-9-14-28-45(39)59/h2-34H,1H3
InChIKeySFYKNQAESWRJCI-UHFFFAOYSA-N
XLogP14.52
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.96
LogP ≤ 514.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 12'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-1-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole] with MolForge

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Related Compounds

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
12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole];ethane
CID 145066280
9-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyldibenzofuran-4-yl]-18-phenylspiro[9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene-27,9'-fluorene]
CID 155159458
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-1-yl]-[1]benzofuro[3,2-b]carbazole
CID 155158601
12'-[3-(6-dibenzofuran-1-yl-2-phenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 130327316
12'-[4-[4-phenyl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 169014953
5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyldibenzofuran-4-yl]-11,11-dimethylindeno[1,2-b]carbazole
CID 155158591
12'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 90247208
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
9-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyldibenzofuran-4-yl]-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 155160141
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
5'-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole]
CID 155159192

Frequently Asked Questions

What is the IUPAC name of 12'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-1-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]?
The IUPAC name of 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) is 12'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-1-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole].
What is the SMILES notation for 12'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-1-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]?
The canonical SMILES for 12'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-1-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole] is Cc1cc(-n2c3ccccc3c3ccc4c(c32)-c2ccccc2C42c3ccccc3-c3ccccc32)c2c(oc3ccccc32)c1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 12'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-1-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]?
The InChIKey is SFYKNQAESWRJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H36N4O/c1-35-34-49(53-43-26-12-17-31-50(43)64-55(53)51(35)58-61-56(36-18-4-2-5-19-36)60-57(62-58)37-20-6-3-7-21-37)63-48-30-16-11-24-40(48)41-32-33-47-52(54(41)63)42-25-10-15-29-46(42)59(47)44-27-13-8-22-38(44)39-23-9-14-28-45(39)59/h2-34H,1H3.
What are the key properties of 12'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-1-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]?
12'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-1-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole] has a molecular weight of 816.96 g/mol, XLogP of 14.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-1-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole] is sourced from PubChem (CID 155158590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).