N-phenyl-N-(9,9,10,10-tetraphenylphenanthren-3-yl)dibenzofuran-1-amine

C56H39NO — CID 163943702

IUPACN-phenyl-N-(9,9,10,10-tetraphenylphenanthren-3-yl)dibenzofuran-1-amine
SMILESc1ccc(N(c2ccc3c(c2)-c2ccccc2C(c2ccccc2)(c2ccccc2)C3(c2ccccc2)c2ccccc2)c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C56H39NO/c1-6-21-40(22-7-1)55(41-23-8-2-9-24-41)49-33-18-16-31-46(49)48-39-45(37-38-50(48)56(55,42-25-10-3-11-26-42)43-27-12-4-13-28-43)57(44-29-14-5-15-30-44)51-34-20-36-53-54(51)47-32-17-19-35-52(47)58-53/h1-39H
InChIKeyXGVTTWPXWIMECW-UHFFFAOYSA-N
MW741.93 g/mol
LogP14.41
Rot. Bonds7

About N-phenyl-N-(9,9,10,10-tetraphenylphenanthren-3-yl)dibenzofuran-1-amine

N-phenyl-N-(9,9,10,10-tetraphenylphenanthren-3-yl)dibenzofuran-1-amine (PubChem CID 163943702) has the molecular formula C56H39NO and a molecular weight of 741.93 g/mol. Its IUPAC name is N-phenyl-N-(9,9,10,10-tetraphenylphenanthren-3-yl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-phenyl-N-(9,9,10,10-tetraphenylphenanthren-3-yl)dibenzofuran-1-amine
PubChem CID163943702
Molecular FormulaC56H39NO
Molecular Weight741.93 g/mol
Exact Mass741.30
IUPAC NameN-phenyl-N-(9,9,10,10-tetraphenylphenanthren-3-yl)dibenzofuran-1-amine
SMILESc1ccc(N(c2ccc3c(c2)-c2ccccc2C(c2ccccc2)(c2ccccc2)C3(c2ccccc2)c2ccccc2)c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C56H39NO/c1-6-21-40(22-7-1)55(41-23-8-2-9-24-41)49-33-18-16-31-46(49)48-39-45(37-38-50(48)56(55,42-25-10-3-11-26-42)43-27-12-4-13-28-43)57(44-29-14-5-15-30-44)51-34-20-36-53-54(51)47-32-17-19-35-52(47)58-53/h1-39H
InChIKeyXGVTTWPXWIMECW-UHFFFAOYSA-N
XLogP14.41
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 ≤ 514.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,3-N-di(dibenzofuran-1-yl)-1-N-(9,9-diphenylfluoren-3-yl)-3-N-(9,9-diphenylfluoren-4-yl)benzene-1,3-diamine
CID 155312684
N-naphthalen-1-yl-N,9,9,10,10-pentakis-phenylphenanthren-3-amine
CID 163943701
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
3-N-dibenzofuran-1-yl-1-N-dibenzofuran-3-yl-3-N-(9,9-diphenylfluoren-2-yl)-1-N-(9,9-diphenylfluoren-3-yl)benzene-1,3-diamine
CID 155312532
1-N-dibenzofuran-1-yl-2-N-(9,9-diphenylfluoren-4-yl)-1-N-phenyl-2-N-[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,2-diamine
CID 155096765
7-N',17-N'-di(dibenzofuran-1-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine
CID 137492867
N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476859
N-phenyl-N-[3-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]dibenzofuran-1-amine
CID 156524645
4-N-dibenzofuran-1-yl-1-N,1-N-diphenyl-4-N-spiro[fluorene-9,9'-xanthene]-2-ylbenzene-1,4-diamine
CID 166959985
3-N-dibenzofuran-1-yl-1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-4-yl)-1-N-(9,9-diphenylfluoren-3-yl)benzene-1,3-diamine
CID 147080029
N-dibenzofuran-1-yl-N-(2-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine
CID 130465181
1-N,3-N-di(dibenzofuran-1-yl)-1-N-(9,9-dimethylfluoren-4-yl)-3-N-(9,9-diphenylfluoren-4-yl)benzene-1,3-diamine
CID 152916526

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(9,9,10,10-tetraphenylphenanthren-3-yl)dibenzofuran-1-amine?
The IUPAC name of N-phenyl-N-(9,9,10,10-tetraphenylphenanthren-3-yl)dibenzofuran-1-amine (CID 163943702) is N-phenyl-N-(9,9,10,10-tetraphenylphenanthren-3-yl)dibenzofuran-1-amine.
What is the SMILES notation for N-phenyl-N-(9,9,10,10-tetraphenylphenanthren-3-yl)dibenzofuran-1-amine?
The canonical SMILES for N-phenyl-N-(9,9,10,10-tetraphenylphenanthren-3-yl)dibenzofuran-1-amine is c1ccc(N(c2ccc3c(c2)-c2ccccc2C(c2ccccc2)(c2ccccc2)C3(c2ccccc2)c2ccccc2)c2cccc3oc4ccccc4c23)cc1.
What is the InChIKey of N-phenyl-N-(9,9,10,10-tetraphenylphenanthren-3-yl)dibenzofuran-1-amine?
The InChIKey is XGVTTWPXWIMECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H39NO/c1-6-21-40(22-7-1)55(41-23-8-2-9-24-41)49-33-18-16-31-46(49)48-39-45(37-38-50(48)56(55,42-25-10-3-11-26-42)43-27-12-4-13-28-43)57(44-29-14-5-15-30-44)51-34-20-36-53-54(51)47-32-17-19-35-52(47)58-53/h1-39H.
What are the key properties of N-phenyl-N-(9,9,10,10-tetraphenylphenanthren-3-yl)dibenzofuran-1-amine?
N-phenyl-N-(9,9,10,10-tetraphenylphenanthren-3-yl)dibenzofuran-1-amine has a molecular weight of 741.93 g/mol, XLogP of 14.41, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(9,9,10,10-tetraphenylphenanthren-3-yl)dibenzofuran-1-amine is sourced from PubChem (CID 163943702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).