8-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-[4-(3-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole

C63H40N4O — CID 163611677

IUPAC8-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-[4-(3-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc5oc6c(ccc7c8ccccc8n(-c8ccc(-c9cccc(-c%10ccccc%10)c9)cc8)c76)c5c4)n3)cc2)cc1
InChIInChI=1S/C63H40N4O/c1-4-13-41(14-5-1)44-23-27-47(28-24-44)61-64-62(48-29-25-45(26-30-48)42-15-6-2-7-16-42)66-63(65-61)51-33-38-58-56(40-51)55-37-36-54-53-21-10-11-22-57(53)67(59(54)60(55)68-58)52-34-31-46(32-35-52)50-20-12-19-49(39-50)43-17-8-3-9-18-43/h1-40H
InChIKeyBDLIZQZXNNJJHG-UHFFFAOYSA-N
MW869.04 g/mol
LogP16.54
Rot. Bonds8

About 8-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-[4-(3-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole

8-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-[4-(3-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole (PubChem CID 163611677) has the molecular formula C63H40N4O and a molecular weight of 869.04 g/mol. Its IUPAC name is 8-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-[4-(3-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name8-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-[4-(3-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole
PubChem CID163611677
Molecular FormulaC63H40N4O
Molecular Weight869.04 g/mol
Exact Mass868.32
IUPAC Name8-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-[4-(3-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc5oc6c(ccc7c8ccccc8n(-c8ccc(-c9cccc(-c%10ccccc%10)c9)cc8)c76)c5c4)n3)cc2)cc1
InChIInChI=1S/C63H40N4O/c1-4-13-41(14-5-1)44-23-27-47(28-24-44)61-64-62(48-29-25-45(26-30-48)42-15-6-2-7-16-42)66-63(65-61)51-33-38-58-56(40-51)55-37-36-54-53-21-10-11-22-57(53)67(59(54)60(55)68-58)52-34-31-46(32-35-52)50-20-12-19-49(39-50)43-17-8-3-9-18-43/h1-40H
InChIKeyBDLIZQZXNNJJHG-UHFFFAOYSA-N
XLogP16.54
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500869.04
LogP ≤ 516.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

12-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 126580353
9-[4-dibenzofuran-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[2,3-a]carbazole
CID 163603085
12-[4-(3-phenylphenyl)phenyl]-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole
CID 163977496
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-[1]benzofuro[2,3-a]carbazole
CID 164757804
12-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 170268456
12-[3-(4-phenylphenyl)phenyl]-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 163675437
12-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 166953087
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(4-phenylphenyl)-[1]benzofuro[3,2-a]carbazole
CID 163629204
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole
CID 163579261
12-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-18-(3-phenylphenyl)-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 162701765
8-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[2,3-a]carbazole;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-8-pyridin-2-yl-[1]benzofuro[2,3-a]carbazole;12-phenyl-8-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole;12-phenyl-8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 163978854
1-[8-[4-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]dibenzofuran-3-yl]-9-phenylcarbazole
CID 157480548

Frequently Asked Questions

What is the IUPAC name of 8-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-[4-(3-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 8-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-[4-(3-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole (CID 163611677) is 8-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-[4-(3-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 8-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-[4-(3-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 8-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-[4-(3-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc5oc6c(ccc7c8ccccc8n(-c8ccc(-c9cccc(-c%10ccccc%10)c9)cc8)c76)c5c4)n3)cc2)cc1.
What is the InChIKey of 8-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-[4-(3-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole?
The InChIKey is BDLIZQZXNNJJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H40N4O/c1-4-13-41(14-5-1)44-23-27-47(28-24-44)61-64-62(48-29-25-45(26-30-48)42-15-6-2-7-16-42)66-63(65-61)51-33-38-58-56(40-51)55-37-36-54-53-21-10-11-22-57(53)67(59(54)60(55)68-58)52-34-31-46(32-35-52)50-20-12-19-49(39-50)43-17-8-3-9-18-43/h1-40H.
What are the key properties of 8-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-[4-(3-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole?
8-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-[4-(3-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole has a molecular weight of 869.04 g/mol, XLogP of 16.54, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-[4-(3-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 163611677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).