12-[3-[4,6-bis[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-a]carbazole

C75H42N6O3 — CID 126630971

IUPAC12-[3-[4,6-bis[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-a]carbazole
SMILESc1cc(-c2nc(-c3cccc(-n4c5ccccc5c5ccc6oc7ccccc7c6c54)c3)nc(-c3cccc(-n4c5ccccc5c5ccc6oc7ccccc7c6c54)c3)n2)cc(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)c1
InChIInChI=1S/C75H42N6O3/c1-7-28-58-49(22-1)52-34-37-64-67(55-25-4-10-31-61(55)82-64)70(52)79(58)46-19-13-16-43(40-46)73-76-74(44-17-14-20-47(41-44)80-59-29-8-2-23-50(59)53-35-38-65-68(71(53)80)56-26-5-11-32-62(56)83-65)78-75(77-73)45-18-15-21-48(42-45)81-60-30-9-3-24-51(60)54-36-39-66-69(72(54)81)57-27-6-12-33-63(57)84-66/h1-42H
InChIKeyGQBNCOYFXGDAFD-UHFFFAOYSA-N
MW1075.20 g/mol
LogP19.86
Rot. Bonds6

About 12-[3-[4,6-bis[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-a]carbazole

12-[3-[4,6-bis[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-a]carbazole (PubChem CID 126630971) has the molecular formula C75H42N6O3 and a molecular weight of 1075.20 g/mol. Its IUPAC name is 12-[3-[4,6-bis[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-a]carbazole.

Molecular Properties

Compound Name12-[3-[4,6-bis[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-a]carbazole
PubChem CID126630971
Molecular FormulaC75H42N6O3
Molecular Weight1075.20 g/mol
Exact Mass1074.33
IUPAC Name12-[3-[4,6-bis[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-a]carbazole
SMILESc1cc(-c2nc(-c3cccc(-n4c5ccccc5c5ccc6oc7ccccc7c6c54)c3)nc(-c3cccc(-n4c5ccccc5c5ccc6oc7ccccc7c6c54)c3)n2)cc(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)c1
InChIInChI=1S/C75H42N6O3/c1-7-28-58-49(22-1)52-34-37-64-67(55-25-4-10-31-61(55)82-64)70(52)79(58)46-19-13-16-43(40-46)73-76-74(44-17-14-20-47(41-44)80-59-29-8-2-23-50(59)53-35-38-65-68(71(53)80)56-26-5-11-32-62(56)83-65)78-75(77-73)45-18-15-21-48(42-45)81-60-30-9-3-24-51(60)54-36-39-66-69(72(54)81)57-27-6-12-33-63(57)84-66/h1-42H
InChIKeyGQBNCOYFXGDAFD-UHFFFAOYSA-N
XLogP19.86
TPSA92.88 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001075.20
LogP ≤ 519.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 12-[3-[4,6-bis[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-a]carbazole with MolForge

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Related Compounds

3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 164705594
12-(3-dibenzofuran-2-ylphenyl)-[1]benzofuro[3,2-a]carbazole
CID 163673280
12-[3-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 130334102
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-phenyl-15-[3-(4-phenylquinazolin-2-yl)phenyl]-24-oxa-4,15-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 126678197
12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole
CID 129141729
12-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole
CID 164954211
12-[3-phenyl-5-(3-phenylphenyl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 156674049
12-[3-(2-phenylbenzimidazol-1-yl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 90324714
12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-[1]benzofuro[3,2-a]carbazole
CID 146976667
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(4-phenylphenyl)-[1]benzofuro[3,2-a]carbazole
CID 163629204
4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 163746946

Frequently Asked Questions

What is the IUPAC name of 12-[3-[4,6-bis[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-a]carbazole?
The IUPAC name of 12-[3-[4,6-bis[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-a]carbazole (CID 126630971) is 12-[3-[4,6-bis[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-a]carbazole.
What is the SMILES notation for 12-[3-[4,6-bis[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-a]carbazole?
The canonical SMILES for 12-[3-[4,6-bis[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-a]carbazole is c1cc(-c2nc(-c3cccc(-n4c5ccccc5c5ccc6oc7ccccc7c6c54)c3)nc(-c3cccc(-n4c5ccccc5c5ccc6oc7ccccc7c6c54)c3)n2)cc(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)c1.
What is the InChIKey of 12-[3-[4,6-bis[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-a]carbazole?
The InChIKey is GQBNCOYFXGDAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H42N6O3/c1-7-28-58-49(22-1)52-34-37-64-67(55-25-4-10-31-61(55)82-64)70(52)79(58)46-19-13-16-43(40-46)73-76-74(44-17-14-20-47(41-44)80-59-29-8-2-23-50(59)53-35-38-65-68(71(53)80)56-26-5-11-32-62(56)83-65)78-75(77-73)45-18-15-21-48(42-45)81-60-30-9-3-24-51(60)54-36-39-66-69(72(54)81)57-27-6-12-33-63(57)84-66/h1-42H.
What are the key properties of 12-[3-[4,6-bis[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-a]carbazole?
12-[3-[4,6-bis[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-a]carbazole has a molecular weight of 1075.20 g/mol, XLogP of 19.86, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[3-[4,6-bis[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-a]carbazole is sourced from PubChem (CID 126630971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).