N-[2-dibenzofuran-1-yl-3-(4-phenylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine

C60H45NO — CID 167285876

IUPACN-[2-dibenzofuran-1-yl-3-(4-phenylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc(-c4ccc(-c5ccccc5)cc4)c3-c3cccc4oc5ccccc5c34)cc21
InChIInChI=1S/C60H45NO/c1-59(2)50-23-11-8-18-44(50)46-34-32-41(36-52(46)59)61(42-33-35-47-45-19-9-12-24-51(45)60(3,4)53(47)37-42)54-25-14-21-43(40-30-28-39(29-31-40)38-16-6-5-7-17-38)57(54)49-22-15-27-56-58(49)48-20-10-13-26-55(48)62-56/h5-37H,1-4H3
InChIKeyVCDFQZALMQEMRM-UHFFFAOYSA-N
MW796.03 g/mol
LogP16.67
Rot. Bonds6

About N-[2-dibenzofuran-1-yl-3-(4-phenylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine

N-[2-dibenzofuran-1-yl-3-(4-phenylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine (PubChem CID 167285876) has the molecular formula C60H45NO and a molecular weight of 796.03 g/mol. Its IUPAC name is N-[2-dibenzofuran-1-yl-3-(4-phenylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-[2-dibenzofuran-1-yl-3-(4-phenylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
PubChem CID167285876
Molecular FormulaC60H45NO
Molecular Weight796.03 g/mol
Exact Mass795.35
IUPAC NameN-[2-dibenzofuran-1-yl-3-(4-phenylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc(-c4ccc(-c5ccccc5)cc4)c3-c3cccc4oc5ccccc5c34)cc21
InChIInChI=1S/C60H45NO/c1-59(2)50-23-11-8-18-44(50)46-34-32-41(36-52(46)59)61(42-33-35-47-45-19-9-12-24-51(45)60(3,4)53(47)37-42)54-25-14-21-43(40-30-28-39(29-31-40)38-16-6-5-7-17-38)57(54)49-22-15-27-56-58(49)48-20-10-13-26-55(48)62-56/h5-37H,1-4H3
InChIKeyVCDFQZALMQEMRM-UHFFFAOYSA-N
XLogP16.67
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.03
LogP ≤ 516.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-[2-(2-phenylphenyl)-3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 167285328
N-[2-dibenzofuran-1-yl-3-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 167285674
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 168788461
N-(9,9-dimethylfluoren-4-yl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)dibenzofuran-1-amine
CID 138484780
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 168788681
N-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N-[4-(2,3,5,6-tetradeuterio-4-phenylphenyl)phenyl]fluoren-2-amine
CID 176583353
N,N-bis(9,9-dimethylfluoren-2-yl)-1-(2,4-diphenylphenyl)dibenzofuran-2-amine
CID 177281391
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-4-amine
CID 139568351
N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(2-phenanthren-9-yl-3-phenylphenyl)fluoren-2-amine
CID 177274863
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-[2-[1-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-2-yl]dibenzofuran-1-yl]phenyl]fluoren-2-amine
CID 138481428
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-3-phenyldibenzofuran-1-amine
CID 170722738
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-12-phenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-11-amine
CID 171402140

Frequently Asked Questions

What is the IUPAC name of N-[2-dibenzofuran-1-yl-3-(4-phenylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-[2-dibenzofuran-1-yl-3-(4-phenylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine (CID 167285876) is N-[2-dibenzofuran-1-yl-3-(4-phenylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-[2-dibenzofuran-1-yl-3-(4-phenylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-[2-dibenzofuran-1-yl-3-(4-phenylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc(-c4ccc(-c5ccccc5)cc4)c3-c3cccc4oc5ccccc5c34)cc21.
What is the InChIKey of N-[2-dibenzofuran-1-yl-3-(4-phenylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?
The InChIKey is VCDFQZALMQEMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H45NO/c1-59(2)50-23-11-8-18-44(50)46-34-32-41(36-52(46)59)61(42-33-35-47-45-19-9-12-24-51(45)60(3,4)53(47)37-42)54-25-14-21-43(40-30-28-39(29-31-40)38-16-6-5-7-17-38)57(54)49-22-15-27-56-58(49)48-20-10-13-26-55(48)62-56/h5-37H,1-4H3.
What are the key properties of N-[2-dibenzofuran-1-yl-3-(4-phenylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?
N-[2-dibenzofuran-1-yl-3-(4-phenylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine has a molecular weight of 796.03 g/mol, XLogP of 16.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-dibenzofuran-1-yl-3-(4-phenylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 167285876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).