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]

C64H38N4O — CID 155159191

IUPAC12'-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-n5c6ccccc6c6ccc7c(c65)-c5ccccc5C75c6ccccc6-c6ccccc65)c5c4oc4ccccc45)n3)cc2)cc1
InChIInChI=1S/C64H38N4O/c1-3-17-39(18-4-1)40-31-33-42(34-32-40)62-65-61(41-19-5-2-6-20-41)66-63(67-62)49-36-38-55(58-48-25-11-16-30-56(48)69-60(49)58)68-54-29-15-10-23-45(54)46-35-37-53-57(59(46)68)47-24-9-14-28-52(47)64(53)50-26-12-7-21-43(50)44-22-8-13-27-51(44)64/h1-38H
InChIKeyCZBQYUDRXVNKIT-UHFFFAOYSA-N
MW879.03 g/mol
LogP15.88
Rot. Bonds5

About 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]

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] (PubChem CID 155159191) has the molecular formula C64H38N4O and a molecular weight of 879.03 g/mol. Its IUPAC name is 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].

Molecular Properties

Compound Name12'-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
PubChem CID155159191
Molecular FormulaC64H38N4O
Molecular Weight879.03 g/mol
Exact Mass878.30
IUPAC Name12'-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-n5c6ccccc6c6ccc7c(c65)-c5ccccc5C75c6ccccc6-c6ccccc65)c5c4oc4ccccc45)n3)cc2)cc1
InChIInChI=1S/C64H38N4O/c1-3-17-39(18-4-1)40-31-33-42(34-32-40)62-65-61(41-19-5-2-6-20-41)66-63(67-62)49-36-38-55(58-48-25-11-16-30-56(48)69-60(49)58)68-54-29-15-10-23-45(54)46-35-37-53-57(59(46)68)47-24-9-14-28-52(47)64(53)50-26-12-7-21-43(50)44-22-8-13-27-51(44)64/h1-38H
InChIKeyCZBQYUDRXVNKIT-UHFFFAOYSA-N
XLogP15.88
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500879.03
LogP ≤ 515.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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] with MolForge

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Related Compounds

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
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
18-phenyl-9-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]spiro[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 163486546
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
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
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
12'-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 155160183
5'-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]spiro[fluorene-9,12'-indeno[1,2-c]carbazole]
CID 155159696
12-phenyl-5-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]indolo[3,2-c]carbazole
CID 155158723
12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole];ethane
CID 145066280
21-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
CID 164847930
12'-[2-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 169014390

Frequently Asked Questions

What is the IUPAC name of 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]?
The IUPAC name of 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) is 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].
What is the SMILES notation for 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]?
The canonical SMILES for 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] is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-n5c6ccccc6c6ccc7c(c65)-c5ccccc5C75c6ccccc6-c6ccccc65)c5c4oc4ccccc45)n3)cc2)cc1.
What is the InChIKey of 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]?
The InChIKey is CZBQYUDRXVNKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H38N4O/c1-3-17-39(18-4-1)40-31-33-42(34-32-40)62-65-61(41-19-5-2-6-20-41)66-63(67-62)49-36-38-55(58-48-25-11-16-30-56(48)69-60(49)58)68-54-29-15-10-23-45(54)46-35-37-53-57(59(46)68)47-24-9-14-28-52(47)64(53)50-26-12-7-21-43(50)44-22-8-13-27-51(44)64/h1-38H.
What are the key properties of 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]?
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] has a molecular weight of 879.03 g/mol, XLogP of 15.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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] is sourced from PubChem (CID 155159191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).