12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-(4-fluorophenyl)dibenzofuran-2-yl]indolo[2,3-a]carbazole

C63H38FN5O — CID 168809475

IUPAC12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-(4-fluorophenyl)dibenzofuran-2-yl]indolo[2,3-a]carbazole
SMILESFc1ccc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7ccc(-c8ccccc8)cc7)nc(-c7ccc(-c8ccccc8)cc7)n6)c5c43)cc3c2oc2ccccc23)cc1
InChIInChI=1S/C63H38FN5O/c64-46-33-31-43(32-34-46)53-37-47(38-54-50-19-9-12-22-57(50)70-60(53)54)68-55-20-10-7-17-48(55)51-35-36-52-49-18-8-11-21-56(49)69(59(52)58(51)68)63-66-61(44-27-23-41(24-28-44)39-13-3-1-4-14-39)65-62(67-63)45-29-25-42(26-30-45)40-15-5-2-6-16-40/h1-38H
InChIKeySTVYXHAKDANGEV-UHFFFAOYSA-N
MW900.03 g/mol
LogP16.44
Rot. Bonds7

About 12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-(4-fluorophenyl)dibenzofuran-2-yl]indolo[2,3-a]carbazole

12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-(4-fluorophenyl)dibenzofuran-2-yl]indolo[2,3-a]carbazole (PubChem CID 168809475) has the molecular formula C63H38FN5O and a molecular weight of 900.03 g/mol. Its IUPAC name is 12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-(4-fluorophenyl)dibenzofuran-2-yl]indolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-(4-fluorophenyl)dibenzofuran-2-yl]indolo[2,3-a]carbazole
PubChem CID168809475
Molecular FormulaC63H38FN5O
Molecular Weight900.03 g/mol
Exact Mass899.31
IUPAC Name12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-(4-fluorophenyl)dibenzofuran-2-yl]indolo[2,3-a]carbazole
SMILESFc1ccc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7ccc(-c8ccccc8)cc7)nc(-c7ccc(-c8ccccc8)cc7)n6)c5c43)cc3c2oc2ccccc23)cc1
InChIInChI=1S/C63H38FN5O/c64-46-33-31-43(32-34-46)53-37-47(38-54-50-19-9-12-22-57(50)70-60(53)54)68-55-20-10-7-17-48(55)51-35-36-52-49-18-8-11-21-56(49)69(59(52)58(51)68)63-66-61(44-27-23-41(24-28-44)39-13-3-1-4-14-39)65-62(67-63)45-29-25-42(26-30-45)40-15-5-2-6-16-40/h1-38H
InChIKeySTVYXHAKDANGEV-UHFFFAOYSA-N
XLogP16.44
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500900.03
LogP ≤ 516.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-(4-fluorophenyl)dibenzofuran-2-yl]indolo[2,3-a]carbazole?
The IUPAC name of 12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-(4-fluorophenyl)dibenzofuran-2-yl]indolo[2,3-a]carbazole (CID 168809475) is 12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-(4-fluorophenyl)dibenzofuran-2-yl]indolo[2,3-a]carbazole.
What is the SMILES notation for 12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-(4-fluorophenyl)dibenzofuran-2-yl]indolo[2,3-a]carbazole?
The canonical SMILES for 12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-(4-fluorophenyl)dibenzofuran-2-yl]indolo[2,3-a]carbazole is Fc1ccc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7ccc(-c8ccccc8)cc7)nc(-c7ccc(-c8ccccc8)cc7)n6)c5c43)cc3c2oc2ccccc23)cc1.
What is the InChIKey of 12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-(4-fluorophenyl)dibenzofuran-2-yl]indolo[2,3-a]carbazole?
The InChIKey is STVYXHAKDANGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H38FN5O/c64-46-33-31-43(32-34-46)53-37-47(38-54-50-19-9-12-22-57(50)70-60(53)54)68-55-20-10-7-17-48(55)51-35-36-52-49-18-8-11-21-56(49)69(59(52)58(51)68)63-66-61(44-27-23-41(24-28-44)39-13-3-1-4-14-39)65-62(67-63)45-29-25-42(26-30-45)40-15-5-2-6-16-40/h1-38H.
What are the key properties of 12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-(4-fluorophenyl)dibenzofuran-2-yl]indolo[2,3-a]carbazole?
12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-(4-fluorophenyl)dibenzofuran-2-yl]indolo[2,3-a]carbazole has a molecular weight of 900.03 g/mol, XLogP of 16.44, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-(4-fluorophenyl)dibenzofuran-2-yl]indolo[2,3-a]carbazole is sourced from PubChem (CID 168809475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).