10-N-[2-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-10-N-dibenzofuran-2-yl-3-N,3-N-diphenylphenanthrene-3,10-diamine

C57H44N2O — CID 170284197

IUPAC10-N-[2-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-10-N-dibenzofuran-2-yl-3-N,3-N-diphenylphenanthrene-3,10-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(N(c4ccc5oc6ccccc6c5c4)c4ccccc4-c4ccc(C5CC6CCC5C6)cc4)cc4ccccc4c3c2)cc1
InChIInChI=1S/C57H44N2O/c1-3-14-43(15-4-1)58(44-16-5-2-6-17-44)45-29-31-49-52(36-45)47-18-8-7-13-41(47)35-55(49)59(46-30-32-57-53(37-46)50-20-10-12-22-56(50)60-57)54-21-11-9-19-48(54)39-25-27-40(28-26-39)51-34-38-23-24-42(51)33-38/h1-22,25-32,35-38,42,51H,23-24,33-34H2
InChIKeyWNHLCIZIAVXMSU-UHFFFAOYSA-N
MW772.99 g/mol
LogP16.40
Rot. Bonds8

About 10-N-[2-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-10-N-dibenzofuran-2-yl-3-N,3-N-diphenylphenanthrene-3,10-diamine

10-N-[2-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-10-N-dibenzofuran-2-yl-3-N,3-N-diphenylphenanthrene-3,10-diamine (PubChem CID 170284197) has the molecular formula C57H44N2O and a molecular weight of 772.99 g/mol. Its IUPAC name is 10-N-[2-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-10-N-dibenzofuran-2-yl-3-N,3-N-diphenylphenanthrene-3,10-diamine.

Molecular Properties

Compound Name10-N-[2-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-10-N-dibenzofuran-2-yl-3-N,3-N-diphenylphenanthrene-3,10-diamine
PubChem CID170284197
Molecular FormulaC57H44N2O
Molecular Weight772.99 g/mol
Exact Mass772.35
IUPAC Name10-N-[2-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-10-N-dibenzofuran-2-yl-3-N,3-N-diphenylphenanthrene-3,10-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(N(c4ccc5oc6ccccc6c5c4)c4ccccc4-c4ccc(C5CC6CCC5C6)cc4)cc4ccccc4c3c2)cc1
InChIInChI=1S/C57H44N2O/c1-3-14-43(15-4-1)58(44-16-5-2-6-17-44)45-29-31-49-52(36-45)47-18-8-7-13-41(47)35-55(49)59(46-30-32-57-53(37-46)50-20-10-12-22-56(50)60-57)54-21-11-9-19-48(54)39-25-27-40(28-26-39)51-34-38-23-24-42(51)33-38/h1-22,25-32,35-38,42,51H,23-24,33-34H2
InChIKeyWNHLCIZIAVXMSU-UHFFFAOYSA-N
XLogP16.40
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.99
LogP ≤ 516.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 10-N-[2-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-10-N-dibenzofuran-2-yl-3-N,3-N-diphenylphenanthrene-3,10-diamine with MolForge

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Related Compounds

N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 165165071
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 165165049
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2,6-diphenylphenyl)phenyl]dibenzofuran-3-amine
CID 168771779
3-N-dibenzofuran-2-yl-10-N-naphthalen-1-yl-10-N-(4-naphthalen-1-ylphenyl)-3-N-phenylphenanthrene-3,10-diamine
CID 170283773
N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-2-amine
CID 165165088
N-[4-[4-[4-(N-[3-(2-bicyclo[2.2.1]heptanyl)phenyl]anilino)phenyl]-2,5-diphenylphenyl]phenyl]-N-phenyldibenzofuran-3-amine
CID 176611527
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-dibenzofuran-2-ylphenyl)-5,5-dimethyldibenzothiophen-2-amine
CID 174327868
N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 170179842
N-phenanthren-9-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-2-amine
CID 89295821
N-chrysen-1-yl-N-dibenzofuran-2-yldibenzofuran-2-amine;N-chrysen-1-yl-N-(4-phenylphenyl)dibenzofuran-2-amine;N-chrysen-3-yl-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 165048813
10-N-dibenzofuran-2-yl-10-N-(4-fluorophenyl)-3-N,3-N-diphenylphenanthrene-3,10-diamine
CID 170284135
N-[8-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]dibenzofuran-1-yl]-8-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine
CID 176759825

Frequently Asked Questions

What is the IUPAC name of 10-N-[2-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-10-N-dibenzofuran-2-yl-3-N,3-N-diphenylphenanthrene-3,10-diamine?
The IUPAC name of 10-N-[2-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-10-N-dibenzofuran-2-yl-3-N,3-N-diphenylphenanthrene-3,10-diamine (CID 170284197) is 10-N-[2-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-10-N-dibenzofuran-2-yl-3-N,3-N-diphenylphenanthrene-3,10-diamine.
What is the SMILES notation for 10-N-[2-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-10-N-dibenzofuran-2-yl-3-N,3-N-diphenylphenanthrene-3,10-diamine?
The canonical SMILES for 10-N-[2-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-10-N-dibenzofuran-2-yl-3-N,3-N-diphenylphenanthrene-3,10-diamine is c1ccc(N(c2ccccc2)c2ccc3c(N(c4ccc5oc6ccccc6c5c4)c4ccccc4-c4ccc(C5CC6CCC5C6)cc4)cc4ccccc4c3c2)cc1.
What is the InChIKey of 10-N-[2-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-10-N-dibenzofuran-2-yl-3-N,3-N-diphenylphenanthrene-3,10-diamine?
The InChIKey is WNHLCIZIAVXMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H44N2O/c1-3-14-43(15-4-1)58(44-16-5-2-6-17-44)45-29-31-49-52(36-45)47-18-8-7-13-41(47)35-55(49)59(46-30-32-57-53(37-46)50-20-10-12-22-56(50)60-57)54-21-11-9-19-48(54)39-25-27-40(28-26-39)51-34-38-23-24-42(51)33-38/h1-22,25-32,35-38,42,51H,23-24,33-34H2.
What are the key properties of 10-N-[2-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-10-N-dibenzofuran-2-yl-3-N,3-N-diphenylphenanthrene-3,10-diamine?
10-N-[2-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-10-N-dibenzofuran-2-yl-3-N,3-N-diphenylphenanthrene-3,10-diamine has a molecular weight of 772.99 g/mol, XLogP of 16.40, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-N-[2-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-10-N-dibenzofuran-2-yl-3-N,3-N-diphenylphenanthrene-3,10-diamine is sourced from PubChem (CID 170284197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).