N-[3-(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)-4-phenylphenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine

C53H47NO — CID 167035353

IUPACN-[3-(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)-4-phenylphenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
SMILESCC1CC2CC(C)C(c3cc(N(c4ccc(-c5ccccc5-c5ccccc5)cc4)c4ccc5c(c4)oc4ccccc45)ccc3-c3ccccc3)C(C1)C2
InChIInChI=1S/C53H47NO/c1-35-29-37-31-36(2)53(41(30-35)32-37)50-33-43(25-27-47(50)39-15-7-4-8-16-39)54(44-26-28-49-48-19-11-12-20-51(48)55-52(49)34-44)42-23-21-40(22-24-42)46-18-10-9-17-45(46)38-13-5-3-6-14-38/h3-28,33-37,41,53H,29-32H2,1-2H3
InChIKeyQESPZUNAAOXGGN-UHFFFAOYSA-N
MW713.97 g/mol
LogP15.23
Rot. Bonds7

About N-[3-(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)-4-phenylphenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine

N-[3-(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)-4-phenylphenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine (PubChem CID 167035353) has the molecular formula C53H47NO and a molecular weight of 713.97 g/mol. Its IUPAC name is N-[3-(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)-4-phenylphenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-[3-(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)-4-phenylphenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
PubChem CID167035353
Molecular FormulaC53H47NO
Molecular Weight713.97 g/mol
Exact Mass713.37
IUPAC NameN-[3-(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)-4-phenylphenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
SMILESCC1CC2CC(C)C(c3cc(N(c4ccc(-c5ccccc5-c5ccccc5)cc4)c4ccc5c(c4)oc4ccccc45)ccc3-c3ccccc3)C(C1)C2
InChIInChI=1S/C53H47NO/c1-35-29-37-31-36(2)53(41(30-35)32-37)50-33-43(25-27-47(50)39-15-7-4-8-16-39)54(44-26-28-49-48-19-11-12-20-51(48)55-52(49)34-44)42-23-21-40(22-24-42)46-18-10-9-17-45(46)38-13-5-3-6-14-38/h3-28,33-37,41,53H,29-32H2,1-2H3
InChIKeyQESPZUNAAOXGGN-UHFFFAOYSA-N
XLogP15.23
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.97
LogP ≤ 515.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-phenylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 172501001
2-N,6-N-bis[3,5-bis(2-adamantyl)phenyl]-2-N,6-N-di(dibenzofuran-3-yl)-9,10-bis(2-phenylphenyl)anthracene-2,6-diamine
CID 156564554
N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-3-amine
CID 176611362
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2,6-diphenylphenyl)phenyl]dibenzofuran-3-amine
CID 168771779
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 121311287
N-(3-phenylphenyl)-N-[4-[4-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[3-[4-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 158679681
N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 139363157
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 165165071
3-N-dibenzofuran-3-yl-1-N-[4-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)phenyl]-3-N-phenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 155421758
N-(4-naphthalen-1-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 172501087
N-dibenzofuran-3-yl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]dibenzofuran-3-amine
CID 121296704
N-dibenzofuran-3-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]dibenzofuran-3-amine
CID 71126774

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)-4-phenylphenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine?
The IUPAC name of N-[3-(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)-4-phenylphenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine (CID 167035353) is N-[3-(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)-4-phenylphenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-[3-(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)-4-phenylphenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-[3-(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)-4-phenylphenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine is CC1CC2CC(C)C(c3cc(N(c4ccc(-c5ccccc5-c5ccccc5)cc4)c4ccc5c(c4)oc4ccccc45)ccc3-c3ccccc3)C(C1)C2.
What is the InChIKey of N-[3-(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)-4-phenylphenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine?
The InChIKey is QESPZUNAAOXGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H47NO/c1-35-29-37-31-36(2)53(41(30-35)32-37)50-33-43(25-27-47(50)39-15-7-4-8-16-39)54(44-26-28-49-48-19-11-12-20-51(48)55-52(49)34-44)42-23-21-40(22-24-42)46-18-10-9-17-45(46)38-13-5-3-6-14-38/h3-28,33-37,41,53H,29-32H2,1-2H3.
What are the key properties of N-[3-(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)-4-phenylphenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine?
N-[3-(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)-4-phenylphenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine has a molecular weight of 713.97 g/mol, XLogP of 15.23, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)-4-phenylphenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 167035353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).