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]

C70H43N5 — CID 169014741

IUPAC12'-[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]
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-n5c6ccccc6c6ccc7c(c65)-c5ccccc5C75c6ccccc6-c6ccccc65)cc4)nc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)n3)cc2)cc1
InChIInChI=1S/C70H43N5/c1-2-17-44(18-3-1)45-33-35-46(36-34-45)67-71-68(73-69(72-67)48-19-16-20-50(43-48)74-62-30-13-7-23-53(62)54-24-8-14-31-63(54)74)47-37-39-49(40-38-47)75-64-32-15-9-25-55(64)56-41-42-61-65(66(56)75)57-26-6-12-29-60(57)70(61)58-27-10-4-21-51(58)52-22-5-11-28-59(52)70/h1-43H
InChIKeyLWRSUYFJPGLJDV-UHFFFAOYSA-N
MW954.15 g/mol
LogP17.08
Rot. Bonds6

About 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]

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] (PubChem CID 169014741) has the molecular formula C70H43N5 and a molecular weight of 954.15 g/mol. Its IUPAC name is 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].

Molecular Properties

Compound Name12'-[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]
PubChem CID169014741
Molecular FormulaC70H43N5
Molecular Weight954.15 g/mol
Exact Mass953.35
IUPAC Name12'-[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]
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-n5c6ccccc6c6ccc7c(c65)-c5ccccc5C75c6ccccc6-c6ccccc65)cc4)nc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)n3)cc2)cc1
InChIInChI=1S/C70H43N5/c1-2-17-44(18-3-1)45-33-35-46(36-34-45)67-71-68(73-69(72-67)48-19-16-20-50(43-48)74-62-30-13-7-23-53(62)54-24-8-14-31-63(54)74)47-37-39-49(40-38-47)75-64-32-15-9-25-55(64)56-41-42-61-65(66(56)75)57-26-6-12-29-60(57)70(61)58-27-10-4-21-51(58)52-22-5-11-28-59(52)70/h1-43H
InChIKeyLWRSUYFJPGLJDV-UHFFFAOYSA-N
XLogP17.08
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500954.15
LogP ≤ 517.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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] with MolForge

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Related Compounds

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-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 118613483
12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 88886982
12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7'-(11-phenylindolo[2,3-a]carbazol-12-yl)-9,9'-spirobi[fluorene]-2'-yl]-11-phenylindolo[2,3-a]carbazole
CID 88886983
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
12-phenyl-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene]
CID 156559750
12-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 162362960
9-[3-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 142504785
12'-[3-(6-dibenzofuran-1-yl-2-phenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 130327316
3,12-diphenyl-11-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 154596185
17-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]
CID 139521170
12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole];ethane
CID 145066280

Frequently Asked Questions

What is the IUPAC name of 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]?
The IUPAC name of 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) is 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].
What is the SMILES notation for 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]?
The canonical SMILES for 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] is c1ccc(-c2ccc(-c3nc(-c4ccc(-n5c6ccccc6c6ccc7c(c65)-c5ccccc5C75c6ccccc6-c6ccccc65)cc4)nc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)n3)cc2)cc1.
What is the InChIKey of 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]?
The InChIKey is LWRSUYFJPGLJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H43N5/c1-2-17-44(18-3-1)45-33-35-46(36-34-45)67-71-68(73-69(72-67)48-19-16-20-50(43-48)74-62-30-13-7-23-53(62)54-24-8-14-31-63(54)74)47-37-39-49(40-38-47)75-64-32-15-9-25-55(64)56-41-42-61-65(66(56)75)57-26-6-12-29-60(57)70(61)58-27-10-4-21-51(58)52-22-5-11-28-59(52)70/h1-43H.
What are the key properties of 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]?
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] has a molecular weight of 954.15 g/mol, XLogP of 17.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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] is sourced from PubChem (CID 169014741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).