2-[7-[bis[4-(4-phenylphenyl)phenyl]methyl]-9,9-dimethylfluoren-2-yl]dibenzofuran

C64H46O — CID 59136953

IUPAC2-[7-[bis[4-(4-phenylphenyl)phenyl]methyl]-9,9-dimethylfluoren-2-yl]dibenzofuran
SMILESCC1(C)c2cc(-c3ccc4oc5ccccc5c4c3)ccc2-c2ccc(C(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)cc21
InChIInChI=1S/C64H46O/c1-64(2)59-40-53(52-35-38-62-58(39-52)57-15-9-10-16-61(57)65-62)33-36-55(59)56-37-34-54(41-60(56)64)63(50-29-25-48(26-30-50)46-21-17-44(18-22-46)42-11-5-3-6-12-42)51-31-27-49(28-32-51)47-23-19-45(20-24-47)43-13-7-4-8-14-43/h3-41,63H,1-2H3
InChIKeyAGUROTJUUBXQDB-UHFFFAOYSA-N
MW831.07 g/mol
LogP17.41
Rot. Bonds8

About 2-[7-[bis[4-(4-phenylphenyl)phenyl]methyl]-9,9-dimethylfluoren-2-yl]dibenzofuran

2-[7-[bis[4-(4-phenylphenyl)phenyl]methyl]-9,9-dimethylfluoren-2-yl]dibenzofuran (PubChem CID 59136953) has the molecular formula C64H46O and a molecular weight of 831.07 g/mol. Its IUPAC name is 2-[7-[bis[4-(4-phenylphenyl)phenyl]methyl]-9,9-dimethylfluoren-2-yl]dibenzofuran.

Molecular Properties

Compound Name2-[7-[bis[4-(4-phenylphenyl)phenyl]methyl]-9,9-dimethylfluoren-2-yl]dibenzofuran
PubChem CID59136953
Molecular FormulaC64H46O
Molecular Weight831.07 g/mol
Exact Mass830.35
IUPAC Name2-[7-[bis[4-(4-phenylphenyl)phenyl]methyl]-9,9-dimethylfluoren-2-yl]dibenzofuran
SMILESCC1(C)c2cc(-c3ccc4oc5ccccc5c4c3)ccc2-c2ccc(C(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)cc21
InChIInChI=1S/C64H46O/c1-64(2)59-40-53(52-35-38-62-58(39-52)57-15-9-10-16-61(57)65-62)33-36-55(59)56-37-34-54(41-60(56)64)63(50-29-25-48(26-30-50)46-21-17-44(18-22-46)42-11-5-3-6-12-42)51-31-27-49(28-32-51)47-23-19-45(20-24-47)43-13-7-4-8-14-43/h3-41,63H,1-2H3
InChIKeyAGUROTJUUBXQDB-UHFFFAOYSA-N
XLogP17.41
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.07
LogP ≤ 517.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-[3-[(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran
CID 59136691
2-[9,9-dimethyl-7-[(4-naphthalen-1-ylphenyl)-[4-(3-phenylphenyl)phenyl]methyl]fluoren-2-yl]dibenzofuran
CID 59136781
10-[4-[(9,9-dimethyl-7-phenylfluoren-2-yl)-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)methyl]phenyl]naphtho[2,1-b][1]benzofuran
CID 59136925
3-[9,9-dimethyl-7-[(4-naphthalen-1-ylphenyl)-[4-(4-phenylphenyl)phenyl]methyl]fluoren-2-yl]dibenzofuran
CID 59136756
2-[4-[(4-dibenzofuran-2-ylphenyl)-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran
CID 59136885
2-(9,9-dimethylfluoren-2-yl)dibenzofuran
CID 122548566
4-[3-[4-[bis(9,9-dimethyl-7-phenylfluoren-2-yl)methyl]phenyl]phenyl]dibenzofuran;2-[3-[bis[4-(3-naphthalen-1-ylphenyl)phenyl]methyl]phenyl]dibenzofuran;2-[3-[naphthalen-1-yl-[4-(3-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran;2-[3-[[4-(3-phenylphenyl)phenyl]-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran
CID 159495965
3-[4-[(4-dibenzofuran-3-ylphenyl)-(9,9-dimethyl-7-phenylfluoren-2-yl)methyl]phenyl]dibenzofuran;3-[4-[(4-dibenzofuran-3-ylphenyl)-[4-(3-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran;3-[4-[(4-dibenzofuran-3-ylphenyl)-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran;9-[4-[(9,9-dimethyl-7-phenylfluoren-2-yl)-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)methyl]phenyl]naphtho[2,1-b][1]benzofuran;9-[4-[(4-naphtho[1,2-b][1]benzofuran-9-ylphenyl)-[4-(4-phenylphenyl)phenyl]methyl]phenyl]naphtho[1,2-b][1]benzofuran;9-[4-[(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-[4-(3-phenylphenyl)phenyl]methyl]phenyl]naphtho[2,1-b][1]benzofuran
CID 157305645
N,N-bis(4-dibenzofuran-2-ylphenyl)-4-(4-phenylphenyl)aniline;7-dibenzofuran-2-yl-9,9-dimethyl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 159384887
2-[3-[4-[bis(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)methyl]phenyl]phenyl]dibenzofuran;2-[3-[bis[4-[3-(4-methylphenyl)phenyl]phenyl]methyl]phenyl]dibenzofuran;2-[3-[bis[4-(4-naphthalen-1-ylphenyl)phenyl]methyl]phenyl]dibenzofuran;2-[3-[4-[naphthalen-1-yl-[4-(3-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran
CID 159462460
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine
CID 67964088
2-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]dibenzofuran
CID 59196306

Frequently Asked Questions

What is the IUPAC name of 2-[7-[bis[4-(4-phenylphenyl)phenyl]methyl]-9,9-dimethylfluoren-2-yl]dibenzofuran?
The IUPAC name of 2-[7-[bis[4-(4-phenylphenyl)phenyl]methyl]-9,9-dimethylfluoren-2-yl]dibenzofuran (CID 59136953) is 2-[7-[bis[4-(4-phenylphenyl)phenyl]methyl]-9,9-dimethylfluoren-2-yl]dibenzofuran.
What is the SMILES notation for 2-[7-[bis[4-(4-phenylphenyl)phenyl]methyl]-9,9-dimethylfluoren-2-yl]dibenzofuran?
The canonical SMILES for 2-[7-[bis[4-(4-phenylphenyl)phenyl]methyl]-9,9-dimethylfluoren-2-yl]dibenzofuran is CC1(C)c2cc(-c3ccc4oc5ccccc5c4c3)ccc2-c2ccc(C(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)cc21.
What is the InChIKey of 2-[7-[bis[4-(4-phenylphenyl)phenyl]methyl]-9,9-dimethylfluoren-2-yl]dibenzofuran?
The InChIKey is AGUROTJUUBXQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H46O/c1-64(2)59-40-53(52-35-38-62-58(39-52)57-15-9-10-16-61(57)65-62)33-36-55(59)56-37-34-54(41-60(56)64)63(50-29-25-48(26-30-50)46-21-17-44(18-22-46)42-11-5-3-6-12-42)51-31-27-49(28-32-51)47-23-19-45(20-24-47)43-13-7-4-8-14-43/h3-41,63H,1-2H3.
What are the key properties of 2-[7-[bis[4-(4-phenylphenyl)phenyl]methyl]-9,9-dimethylfluoren-2-yl]dibenzofuran?
2-[7-[bis[4-(4-phenylphenyl)phenyl]methyl]-9,9-dimethylfluoren-2-yl]dibenzofuran has a molecular weight of 831.07 g/mol, XLogP of 17.41, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[bis[4-(4-phenylphenyl)phenyl]methyl]-9,9-dimethylfluoren-2-yl]dibenzofuran is sourced from PubChem (CID 59136953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).