N-(9-methyl-9-phenylfluoren-2-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine

C56H39NO — CID 170119205

IUPACN-(9-methyl-9-phenylfluoren-2-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(N(c3ccc4oc5ccccc5c4c3)c3ccccc3-c3ccccc3-c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C56H39NO/c1-56(39-20-6-3-7-21-39)51-29-15-12-26-46(51)47-34-32-41(37-52(47)56)57(40-33-35-55-50(36-40)49-28-14-17-31-54(49)58-55)53-30-16-13-27-48(53)45-25-11-10-24-44(45)43-23-9-8-22-42(43)38-18-4-2-5-19-38/h2-37H,1H3
InChIKeyKTFYVEIFDNSKSL-UHFFFAOYSA-N
MW741.93 g/mol
LogP15.39
Rot. Bonds7

About N-(9-methyl-9-phenylfluoren-2-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine

N-(9-methyl-9-phenylfluoren-2-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine (PubChem CID 170119205) has the molecular formula C56H39NO and a molecular weight of 741.93 g/mol. Its IUPAC name is N-(9-methyl-9-phenylfluoren-2-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine.

Molecular Properties

Compound NameN-(9-methyl-9-phenylfluoren-2-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
PubChem CID170119205
Molecular FormulaC56H39NO
Molecular Weight741.93 g/mol
Exact Mass741.30
IUPAC NameN-(9-methyl-9-phenylfluoren-2-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(N(c3ccc4oc5ccccc5c4c3)c3ccccc3-c3ccccc3-c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C56H39NO/c1-56(39-20-6-3-7-21-39)51-29-15-12-26-46(51)47-34-32-41(37-52(47)56)57(40-33-35-55-50(36-40)49-28-14-17-31-54(49)58-55)53-30-16-13-27-48(53)45-25-11-10-24-44(45)43-23-9-8-22-42(43)38-18-4-2-5-19-38/h2-37H,1H3
InChIKeyKTFYVEIFDNSKSL-UHFFFAOYSA-N
XLogP15.39
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.93
LogP ≤ 515.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-diphenylfluoren-2-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 170119009
N-(9,9-diphenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-2-yl)dibenzofuran-2-amine
CID 171453021
N-(4-dibenzofuran-2-ylphenyl)-N-(9-methyl-9-phenylfluoren-2-yl)triphenylen-2-amine
CID 118214579
3-N-dibenzofuran-1-yl-1-N-dibenzofuran-2-yl-1-N,3-N-bis(9-methyl-9-phenylfluoren-3-yl)benzene-1,3-diamine
CID 153124370
N-(9,9-diphenylfluoren-4-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]dibenzofuran-2-amine
CID 171453603
N-(9,9-dimethylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 170119768
N-(3-dibenzofuran-2-ylphenyl)-9-methyl-N-(9-methyl-9-phenylfluoren-3-yl)-9-phenylfluoren-2-amine
CID 171453554
N-(3-dibenzofuran-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
CID 170139028
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(3,4-diphenylphenyl)dibenzofuran-2-amine
CID 170192619
9-methyl-N-(3-naphthalen-1-ylphenyl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170115713
N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 156664742
N-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-4-yl)dibenzofuran-1-amine
CID 138484796

Frequently Asked Questions

What is the IUPAC name of N-(9-methyl-9-phenylfluoren-2-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine?
The IUPAC name of N-(9-methyl-9-phenylfluoren-2-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine (CID 170119205) is N-(9-methyl-9-phenylfluoren-2-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine.
What is the SMILES notation for N-(9-methyl-9-phenylfluoren-2-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine?
The canonical SMILES for N-(9-methyl-9-phenylfluoren-2-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine is CC1(c2ccccc2)c2ccccc2-c2ccc(N(c3ccc4oc5ccccc5c4c3)c3ccccc3-c3ccccc3-c3ccccc3-c3ccccc3)cc21.
What is the InChIKey of N-(9-methyl-9-phenylfluoren-2-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine?
The InChIKey is KTFYVEIFDNSKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H39NO/c1-56(39-20-6-3-7-21-39)51-29-15-12-26-46(51)47-34-32-41(37-52(47)56)57(40-33-35-55-50(36-40)49-28-14-17-31-54(49)58-55)53-30-16-13-27-48(53)45-25-11-10-24-44(45)43-23-9-8-22-42(43)38-18-4-2-5-19-38/h2-37H,1H3.
What are the key properties of N-(9-methyl-9-phenylfluoren-2-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine?
N-(9-methyl-9-phenylfluoren-2-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine has a molecular weight of 741.93 g/mol, XLogP of 15.39, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-methyl-9-phenylfluoren-2-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine is sourced from PubChem (CID 170119205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).