2-[4-[7-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]phenyl]-9-phenylcarbazole

C63H40N4O — CID 165375370

IUPAC2-[4-[7-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]phenyl]-9-phenylcarbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4ccc5c(c4)oc4cccc(-c6ccc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc6)c45)n3)c2)cc1
InChIInChI=1S/C63H40N4O/c1-4-15-41(16-5-1)45-19-12-21-48(37-45)61-64-62(49-22-13-20-46(38-49)42-17-6-2-7-18-42)66-63(65-61)50-34-36-55-59(40-50)68-58-28-14-26-52(60(55)58)44-31-29-43(30-32-44)47-33-35-54-53-25-10-11-27-56(53)67(57(54)39-47)51-23-8-3-9-24-51/h1-40H
InChIKeyYMDNPRCAVKYUGY-UHFFFAOYSA-N
MW869.04 g/mol
LogP16.54
Rot. Bonds8

About 2-[4-[7-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]phenyl]-9-phenylcarbazole

2-[4-[7-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]phenyl]-9-phenylcarbazole (PubChem CID 165375370) has the molecular formula C63H40N4O and a molecular weight of 869.04 g/mol. Its IUPAC name is 2-[4-[7-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-[4-[7-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]phenyl]-9-phenylcarbazole
PubChem CID165375370
Molecular FormulaC63H40N4O
Molecular Weight869.04 g/mol
Exact Mass868.32
IUPAC Name2-[4-[7-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]phenyl]-9-phenylcarbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4ccc5c(c4)oc4cccc(-c6ccc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc6)c45)n3)c2)cc1
InChIInChI=1S/C63H40N4O/c1-4-15-41(16-5-1)45-19-12-21-48(37-45)61-64-62(49-22-13-20-46(38-49)42-17-6-2-7-18-42)66-63(65-61)50-34-36-55-59(40-50)68-58-28-14-26-52(60(55)58)44-31-29-43(30-32-44)47-33-35-54-53-25-10-11-27-56(53)67(57(54)39-47)51-23-8-3-9-24-51/h1-40H
InChIKeyYMDNPRCAVKYUGY-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

2-[4-dibenzofuran-1-yl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 171445377
2-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 139342513
9-phenyl-2-[6-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 155477559
9-[4-(3-carbazol-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]carbazole
CID 158629566
2-dibenzofuran-1-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;2-dibenzofuran-1-yl-9-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole;2-dibenzofuran-1-yl-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 161252356
2-phenyl-9-[4-phenyl-6-[3-(7-phenyldibenzofuran-1-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 167292938
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[9-(4-phenylphenyl)dibenzofuran-3-yl]carbazole
CID 170081092
9-(4-dibenzofuran-1-ylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylcarbazole
CID 171437931
9-[3-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 146266717
9-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]-2-phenylcarbazole;9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]-2-phenylcarbazole;9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]-3-phenylcarbazole
CID 157148440
9-[3-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylcarbazole
CID 135143755
2-[4-dibenzofuran-3-yl-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 169280137

Frequently Asked Questions

What is the IUPAC name of 2-[4-[7-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]phenyl]-9-phenylcarbazole?
The IUPAC name of 2-[4-[7-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]phenyl]-9-phenylcarbazole (CID 165375370) is 2-[4-[7-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]phenyl]-9-phenylcarbazole.
What is the SMILES notation for 2-[4-[7-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]phenyl]-9-phenylcarbazole?
The canonical SMILES for 2-[4-[7-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]phenyl]-9-phenylcarbazole is c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4ccc5c(c4)oc4cccc(-c6ccc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc6)c45)n3)c2)cc1.
What is the InChIKey of 2-[4-[7-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]phenyl]-9-phenylcarbazole?
The InChIKey is YMDNPRCAVKYUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H40N4O/c1-4-15-41(16-5-1)45-19-12-21-48(37-45)61-64-62(49-22-13-20-46(38-49)42-17-6-2-7-18-42)66-63(65-61)50-34-36-55-59(40-50)68-58-28-14-26-52(60(55)58)44-31-29-43(30-32-44)47-33-35-54-53-25-10-11-27-56(53)67(57(54)39-47)51-23-8-3-9-24-51/h1-40H.
What are the key properties of 2-[4-[7-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]phenyl]-9-phenylcarbazole?
2-[4-[7-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]phenyl]-9-phenylcarbazole 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 2-[4-[7-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]phenyl]-9-phenylcarbazole is sourced from PubChem (CID 165375370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).