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

C52H38N2O — CID 166902107

IUPAC4-phenyl-2-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)-c1ccc(-c2ccc(-c4ccc(-c5nc(-c6ccccc6)c6c(n5)oc5ccccc56)cc4)cc2)cc1C3(C)C
InChIInChI=1S/C52H38N2O/c1-51(2)42-16-10-8-14-37(42)40-29-45-41(30-44(40)51)38-27-26-36(28-43(38)52(45,3)4)33-20-18-31(19-21-33)32-22-24-35(25-23-32)49-53-48(34-12-6-5-7-13-34)47-39-15-9-11-17-46(39)55-50(47)54-49/h5-30H,1-4H3
InChIKeyFIGUMKHCUDPVEQ-UHFFFAOYSA-N
MW706.89 g/mol
LogP13.66
Rot. Bonds4

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

4-phenyl-2-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine (PubChem CID 166902107) has the molecular formula C52H38N2O and a molecular weight of 706.89 g/mol. Its IUPAC name is 4-phenyl-2-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-phenyl-2-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
PubChem CID166902107
Molecular FormulaC52H38N2O
Molecular Weight706.89 g/mol
Exact Mass706.30
IUPAC Name4-phenyl-2-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)-c1ccc(-c2ccc(-c4ccc(-c5nc(-c6ccccc6)c6c(n5)oc5ccccc56)cc4)cc2)cc1C3(C)C
InChIInChI=1S/C52H38N2O/c1-51(2)42-16-10-8-14-37(42)40-29-45-41(30-44(40)51)38-27-26-36(28-43(38)52(45,3)4)33-20-18-31(19-21-33)32-22-24-35(25-23-32)49-53-48(34-12-6-5-7-13-34)47-39-15-9-11-17-46(39)55-50(47)54-49/h5-30H,1-4H3
InChIKeyFIGUMKHCUDPVEQ-UHFFFAOYSA-N
XLogP13.66
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.89
LogP ≤ 513.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(6',6'-dimethylspiro[cyclohexane-1,12'-indeno[1,2-b]fluorene]-2'-yl)phenyl]-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 166902124
2-[3-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-yl)phenyl]phenyl]-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 146648509
2-(4-dibenzofuran-1-ylphenyl)-4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 146649093
2-phenyl-4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 166901522
2-[4-[1-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 162775179
4-(3-phenylphenyl)-2-[4-[4-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenyl]-[1]benzofuro[2,3-d]pyrimidine;2-(4-phenylphenyl)-4-[3-[3-[4-[2-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 161158830
8-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine
CID 134399160
2-[4-[1-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 142491033
2-(9,9-dimethylfluoren-2-yl)-4-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 170301829
2-(3-phenylphenyl)-4-[4-[4-[4-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 122489587
4-phenyl-2-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine
CID 166902108
4-(4-phenylphenyl)-2-[3-[3-[4-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 122489754

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine?
The IUPAC name of 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) is 4-phenyl-2-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine.
What is the SMILES notation for 4-phenyl-2-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine?
The canonical SMILES for 4-phenyl-2-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine is CC1(C)c2ccccc2-c2cc3c(cc21)-c1ccc(-c2ccc(-c4ccc(-c5nc(-c6ccccc6)c6c(n5)oc5ccccc56)cc4)cc2)cc1C3(C)C.
What is the InChIKey of 4-phenyl-2-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine?
The InChIKey is FIGUMKHCUDPVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38N2O/c1-51(2)42-16-10-8-14-37(42)40-29-45-41(30-44(40)51)38-27-26-36(28-43(38)52(45,3)4)33-20-18-31(19-21-33)32-22-24-35(25-23-32)49-53-48(34-12-6-5-7-13-34)47-39-15-9-11-17-46(39)55-50(47)54-49/h5-30H,1-4H3.
What are the key properties of 4-phenyl-2-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine?
4-phenyl-2-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine has a molecular weight of 706.89 g/mol, XLogP of 13.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine is sourced from PubChem (CID 166902107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).