4-dibenzofuran-1-yl-2-(12-methyl-12-phenylfluoreno[1,2-b][1]benzofuran-8-yl)quinazoline;2-(12,12-diphenylfluoreno[1,2-b][1]benzofuran-8-yl)-4,6-diphenylquinazoline

C97H60N4O3 — CID 157121907

IUPAC4-dibenzofuran-1-yl-2-(12-methyl-12-phenylfluoreno[1,2-b][1]benzofuran-8-yl)quinazoline;2-(12,12-diphenylfluoreno[1,2-b][1]benzofuran-8-yl)-4,6-diphenylquinazoline
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc3c(oc4ccc(-c5nc(-c6cccc7oc8ccccc8c67)c6ccccc6n5)cc43)c21.c1ccc(-c2ccc3nc(-c4ccc5oc6c7c(ccc6c5c4)-c4ccccc4C7(c4ccccc4)c4ccccc4)nc(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C51H32N2O.C46H28N2O2/c1-5-15-33(16-6-1)35-25-29-45-43(31-35)48(34-17-7-2-8-18-34)53-50(52-45)36-26-30-46-42(32-36)41-28-27-40-39-23-13-14-24-44(39)51(47(40)49(41)54-46,37-19-9-3-10-20-37)38-21-11-4-12-22-38;1-46(28-12-3-2-4-13-28)36-18-8-5-14-29(36)30-23-24-31-35-26-27(22-25-39(35)50-44(31)42(30)46)45-47-37-19-9-6-15-32(37)43(48-45)34-17-11-21-40-41(34)33-16-7-10-20-38(33)49-40/h1-32H;2-26H,1H3
InChIKeyAIBLLPKLYGVGRL-UHFFFAOYSA-N
MW1329.57 g/mol
LogP24.99
Rot. Bonds8

About 4-dibenzofuran-1-yl-2-(12-methyl-12-phenylfluoreno[1,2-b][1]benzofuran-8-yl)quinazoline;2-(12,12-diphenylfluoreno[1,2-b][1]benzofuran-8-yl)-4,6-diphenylquinazoline

4-dibenzofuran-1-yl-2-(12-methyl-12-phenylfluoreno[1,2-b][1]benzofuran-8-yl)quinazoline;2-(12,12-diphenylfluoreno[1,2-b][1]benzofuran-8-yl)-4,6-diphenylquinazoline (PubChem CID 157121907) has the molecular formula C97H60N4O3 and a molecular weight of 1329.57 g/mol. Its IUPAC name is 4-dibenzofuran-1-yl-2-(12-methyl-12-phenylfluoreno[1,2-b][1]benzofuran-8-yl)quinazoline;2-(12,12-diphenylfluoreno[1,2-b][1]benzofuran-8-yl)-4,6-diphenylquinazoline.

Molecular Properties

Compound Name4-dibenzofuran-1-yl-2-(12-methyl-12-phenylfluoreno[1,2-b][1]benzofuran-8-yl)quinazoline;2-(12,12-diphenylfluoreno[1,2-b][1]benzofuran-8-yl)-4,6-diphenylquinazoline
PubChem CID157121907
Molecular FormulaC97H60N4O3
Molecular Weight1329.57 g/mol
Exact Mass1328.47
IUPAC Name4-dibenzofuran-1-yl-2-(12-methyl-12-phenylfluoreno[1,2-b][1]benzofuran-8-yl)quinazoline;2-(12,12-diphenylfluoreno[1,2-b][1]benzofuran-8-yl)-4,6-diphenylquinazoline
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc3c(oc4ccc(-c5nc(-c6cccc7oc8ccccc8c67)c6ccccc6n5)cc43)c21.c1ccc(-c2ccc3nc(-c4ccc5oc6c7c(ccc6c5c4)-c4ccccc4C7(c4ccccc4)c4ccccc4)nc(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C51H32N2O.C46H28N2O2/c1-5-15-33(16-6-1)35-25-29-45-43(31-35)48(34-17-7-2-8-18-34)53-50(52-45)36-26-30-46-42(32-36)41-28-27-40-39-23-13-14-24-44(39)51(47(40)49(41)54-46,37-19-9-3-10-20-37)38-21-11-4-12-22-38;1-46(28-12-3-2-4-13-28)36-18-8-5-14-29(36)30-23-24-31-35-26-27(22-25-39(35)50-44(31)42(30)46)45-47-37-19-9-6-15-32(37)43(48-45)34-17-11-21-40-41(34)33-16-7-10-20-38(33)49-40/h1-32H;2-26H,1H3
InChIKeyAIBLLPKLYGVGRL-UHFFFAOYSA-N
XLogP24.99
TPSA90.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001329.57
LogP ≤ 524.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-dibenzofuran-1-yl-2-(12-methyl-12-phenylfluoreno[1,2-b][1]benzofuran-8-yl)quinazoline;2-(12,12-diphenylfluoreno[1,2-b][1]benzofuran-8-yl)-4,6-diphenylquinazoline with MolForge

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Related Compounds

2-(12,12-diphenylfluoreno[1,2-b][1]benzofuran-8-yl)-4,6-diphenylquinazoline
CID 130233123
4-dibenzofuran-1-yl-2-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-8-yl)quinazoline
CID 134217963
2-anthracen-9-yl-4-(11,11-diphenylfluoreno[3,2-b][1]benzofuran-3-yl)quinazoline;2-(11-methyl-11-phenylfluoreno[3,2-b][1]benzofuran-2-yl)-4,6-diphenylquinazoline
CID 160852756
2-(7,7-diphenylfluoreno[2,3-b][1]benzofuran-2-yl)-4-phenylquinazoline
CID 135176963
6-(4-dibenzofuran-1-ylnaphthalen-1-yl)-2-[4-[1-[4-(2,4-diphenylquinazolin-7-yl)naphthalen-1-yl]dibenzofuran-4-yl]phenyl]-4-phenylquinazoline
CID 167022858
2-[3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)quinazoline
CID 130375099
2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-[8-[4-(9,9-diphenylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166003091
2-(3-dibenzofuran-4-ylphenyl)-4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)pyrimidine
CID 171602818
4-(3-dibenzofuran-2-ylphenyl)-6-[3-(9-methyl-9-phenylfluoren-2-yl)-5-phenylphenyl]-2-phenylpyrimidine
CID 171601950
2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-2-yl)-4-(9,9-dimethylfluoren-2-yl)quinazoline;4-[4-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-7-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-2-yl)-4-phenylquinazoline
CID 162102671
4-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-6-(9-methyl-9-phenylfluoren-2-yl)-2-phenylpyrimidine
CID 171603989
4-dibenzofuran-2-yl-6-[3-(9-methyl-9-phenylfluoren-1-yl)phenyl]-2-phenylpyrimidine
CID 171602430

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-1-yl-2-(12-methyl-12-phenylfluoreno[1,2-b][1]benzofuran-8-yl)quinazoline;2-(12,12-diphenylfluoreno[1,2-b][1]benzofuran-8-yl)-4,6-diphenylquinazoline?
The IUPAC name of 4-dibenzofuran-1-yl-2-(12-methyl-12-phenylfluoreno[1,2-b][1]benzofuran-8-yl)quinazoline;2-(12,12-diphenylfluoreno[1,2-b][1]benzofuran-8-yl)-4,6-diphenylquinazoline (CID 157121907) is 4-dibenzofuran-1-yl-2-(12-methyl-12-phenylfluoreno[1,2-b][1]benzofuran-8-yl)quinazoline;2-(12,12-diphenylfluoreno[1,2-b][1]benzofuran-8-yl)-4,6-diphenylquinazoline.
What is the SMILES notation for 4-dibenzofuran-1-yl-2-(12-methyl-12-phenylfluoreno[1,2-b][1]benzofuran-8-yl)quinazoline;2-(12,12-diphenylfluoreno[1,2-b][1]benzofuran-8-yl)-4,6-diphenylquinazoline?
The canonical SMILES for 4-dibenzofuran-1-yl-2-(12-methyl-12-phenylfluoreno[1,2-b][1]benzofuran-8-yl)quinazoline;2-(12,12-diphenylfluoreno[1,2-b][1]benzofuran-8-yl)-4,6-diphenylquinazoline is CC1(c2ccccc2)c2ccccc2-c2ccc3c(oc4ccc(-c5nc(-c6cccc7oc8ccccc8c67)c6ccccc6n5)cc43)c21.c1ccc(-c2ccc3nc(-c4ccc5oc6c7c(ccc6c5c4)-c4ccccc4C7(c4ccccc4)c4ccccc4)nc(-c4ccccc4)c3c2)cc1.
What is the InChIKey of 4-dibenzofuran-1-yl-2-(12-methyl-12-phenylfluoreno[1,2-b][1]benzofuran-8-yl)quinazoline;2-(12,12-diphenylfluoreno[1,2-b][1]benzofuran-8-yl)-4,6-diphenylquinazoline?
The InChIKey is AIBLLPKLYGVGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N2O.C46H28N2O2/c1-5-15-33(16-6-1)35-25-29-45-43(31-35)48(34-17-7-2-8-18-34)53-50(52-45)36-26-30-46-42(32-36)41-28-27-40-39-23-13-14-24-44(39)51(47(40)49(41)54-46,37-19-9-3-10-20-37)38-21-11-4-12-22-38;1-46(28-12-3-2-4-13-28)36-18-8-5-14-29(36)30-23-24-31-35-26-27(22-25-39(35)50-44(31)42(30)46)45-47-37-19-9-6-15-32(37)43(48-45)34-17-11-21-40-41(34)33-16-7-10-20-38(33)49-40/h1-32H;2-26H,1H3.
What are the key properties of 4-dibenzofuran-1-yl-2-(12-methyl-12-phenylfluoreno[1,2-b][1]benzofuran-8-yl)quinazoline;2-(12,12-diphenylfluoreno[1,2-b][1]benzofuran-8-yl)-4,6-diphenylquinazoline?
4-dibenzofuran-1-yl-2-(12-methyl-12-phenylfluoreno[1,2-b][1]benzofuran-8-yl)quinazoline;2-(12,12-diphenylfluoreno[1,2-b][1]benzofuran-8-yl)-4,6-diphenylquinazoline has a molecular weight of 1329.57 g/mol, XLogP of 24.99, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-1-yl-2-(12-methyl-12-phenylfluoreno[1,2-b][1]benzofuran-8-yl)quinazoline;2-(12,12-diphenylfluoreno[1,2-b][1]benzofuran-8-yl)-4,6-diphenylquinazoline is sourced from PubChem (CID 157121907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).