2-phenyl-4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine

C46H34N2O — CID 166901522

IUPAC2-phenyl-4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)-c1cc(-c2ccc(-c4nc(-c5ccccc5)nc5c4oc4ccccc45)cc2)ccc1C3(C)C
InChIInChI=1S/C46H34N2O/c1-45(2)36-16-10-8-14-31(36)34-25-39-35(26-38(34)45)33-24-30(22-23-37(33)46(39,3)4)27-18-20-28(21-19-27)41-43-42(32-15-9-11-17-40(32)49-43)48-44(47-41)29-12-6-5-7-13-29/h5-26H,1-4H3
InChIKeyDNQPUVZSNPVGMP-UHFFFAOYSA-N
MW630.79 g/mol
LogP11.99
Rot. Bonds3

About 2-phenyl-4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine

2-phenyl-4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 166901522) has the molecular formula C46H34N2O and a molecular weight of 630.79 g/mol. Its IUPAC name is 2-phenyl-4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-phenyl-4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
PubChem CID166901522
Molecular FormulaC46H34N2O
Molecular Weight630.79 g/mol
Exact Mass630.27
IUPAC Name2-phenyl-4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)-c1cc(-c2ccc(-c4nc(-c5ccccc5)nc5c4oc4ccccc45)cc2)ccc1C3(C)C
InChIInChI=1S/C46H34N2O/c1-45(2)36-16-10-8-14-31(36)34-25-39-35(26-38(34)45)33-24-30(22-23-37(33)46(39,3)4)27-18-20-28(21-19-27)41-43-42(32-15-9-11-17-40(32)49-43)48-44(47-41)29-12-6-5-7-13-29/h5-26H,1-4H3
InChIKeyDNQPUVZSNPVGMP-UHFFFAOYSA-N
XLogP11.99
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.79
LogP ≤ 511.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine
CID 134399160
2-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 162481731
4-phenyl-2-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 166902107
4-[8-(6',6'-dimethylspiro[cyclohexane-1,12'-indeno[1,2-b]fluorene]-2'-yl)dibenzofuran-4-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 166901756
2-phenyl-4-[4-[4-[4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489508
4-phenyl-2-[4-[4-[4-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489670
2-phenyl-4-[4-[4-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489550
8-dibenzofuran-3-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 167047627
2-phenyl-4-[3-[3-[4-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489509
9,9-dimethyl-N-phenyl-N-[4-[3-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzofuran-1-yl]phenyl]fluoren-2-amine
CID 166974866
2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 122628602
2-[4-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 154602556

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 2-phenyl-4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine (CID 166901522) is 2-phenyl-4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 2-phenyl-4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 2-phenyl-4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine is CC1(C)c2ccccc2-c2cc3c(cc21)-c1cc(-c2ccc(-c4nc(-c5ccccc5)nc5c4oc4ccccc45)cc2)ccc1C3(C)C.
What is the InChIKey of 2-phenyl-4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is DNQPUVZSNPVGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34N2O/c1-45(2)36-16-10-8-14-31(36)34-25-39-35(26-38(34)45)33-24-30(22-23-37(33)46(39,3)4)27-18-20-28(21-19-27)41-43-42(32-15-9-11-17-40(32)49-43)48-44(47-41)29-12-6-5-7-13-29/h5-26H,1-4H3.
What are the key properties of 2-phenyl-4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine?
2-phenyl-4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 630.79 g/mol, XLogP of 11.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 166901522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).