N-phenyl-N-[4-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]phenyl]dibenzofuran-4-amine

C54H43NO — CID 163587007

IUPACN-phenyl-N-[4-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]phenyl]dibenzofuran-4-amine
SMILESCC1(C)c2ccc(-c3cccc(-c4ccccc4)c3)cc2-c2ccc(-c3ccc(N(c4ccccc4)c4cccc5c4oc4ccccc45)cc3)cc2C1(C)C
InChIInChI=1S/C54H43NO/c1-53(2)48-32-28-40(39-18-13-17-38(33-39)36-15-7-5-8-16-36)34-47(48)44-31-27-41(35-49(44)54(53,3)4)37-25-29-43(30-26-37)55(42-19-9-6-10-20-42)50-23-14-22-46-45-21-11-12-24-51(45)56-52(46)50/h5-35H,1-4H3
InChIKeyBYPHMIXGPVFGLH-UHFFFAOYSA-N
MW721.94 g/mol
LogP15.29
Rot. Bonds6

About N-phenyl-N-[4-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]phenyl]dibenzofuran-4-amine

N-phenyl-N-[4-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]phenyl]dibenzofuran-4-amine (PubChem CID 163587007) has the molecular formula C54H43NO and a molecular weight of 721.94 g/mol. Its IUPAC name is N-phenyl-N-[4-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]phenyl]dibenzofuran-4-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]phenyl]dibenzofuran-4-amine
PubChem CID163587007
Molecular FormulaC54H43NO
Molecular Weight721.94 g/mol
Exact Mass721.33
IUPAC NameN-phenyl-N-[4-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]phenyl]dibenzofuran-4-amine
SMILESCC1(C)c2ccc(-c3cccc(-c4ccccc4)c3)cc2-c2ccc(-c3ccc(N(c4ccccc4)c4cccc5c4oc4ccccc45)cc3)cc2C1(C)C
InChIInChI=1S/C54H43NO/c1-53(2)48-32-28-40(39-18-13-17-38(33-39)36-15-7-5-8-16-36)34-47(48)44-31-27-41(35-49(44)54(53,3)4)37-25-29-43(30-26-37)55(42-19-9-6-10-20-42)50-23-14-22-46-45-21-11-12-24-51(45)56-52(46)50/h5-35H,1-4H3
InChIKeyBYPHMIXGPVFGLH-UHFFFAOYSA-N
XLogP15.29
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.94
LogP ≤ 515.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-(N-(9,9-dimethylfluoren-3-yl)-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 71126808
N-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyldibenzofuran-4-amine
CID 70808668
3-dibenzofuran-4-yl-N-[4-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-3-yl)phenyl]-N-phenylaniline
CID 168839393
N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-1-yldibenzofuran-4-amine;N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine;N-(9,9-dimethylfluoren-3-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-triphenylen-2-yldibenzofuran-4-amine
CID 160951573
9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-ylphenyl)fluoren-2-amine;N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-yldibenzofuran-4-amine
CID 159624894
N-[3-[4-[3-(N-dibenzofuran-4-ylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-4-amine
CID 71126918
N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126595
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-4-amine
CID 170215746
N-(3-dibenzofuran-4-ylphenyl)-N-[3-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168839606
N-[4-[4-(N-dibenzofuran-4-yl-4-phenylanilino)-3-phenylphenyl]phenyl]-N-phenyldibenzofuran-4-amine
CID 146582246
N-[4-[16-(N-dibenzofuran-4-ylanilino)-8,8-dimethyl-20-phenyl-5-pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaenyl]phenyl]-N-phenyldibenzofuran-4-amine
CID 118633745
N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-3-(9,9-dimethyl-7-phenylfluoren-3-yl)aniline
CID 168839587

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]phenyl]dibenzofuran-4-amine?
The IUPAC name of N-phenyl-N-[4-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]phenyl]dibenzofuran-4-amine (CID 163587007) is N-phenyl-N-[4-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]phenyl]dibenzofuran-4-amine.
What is the SMILES notation for N-phenyl-N-[4-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]phenyl]dibenzofuran-4-amine?
The canonical SMILES for N-phenyl-N-[4-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]phenyl]dibenzofuran-4-amine is CC1(C)c2ccc(-c3cccc(-c4ccccc4)c3)cc2-c2ccc(-c3ccc(N(c4ccccc4)c4cccc5c4oc4ccccc45)cc3)cc2C1(C)C.
What is the InChIKey of N-phenyl-N-[4-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]phenyl]dibenzofuran-4-amine?
The InChIKey is BYPHMIXGPVFGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H43NO/c1-53(2)48-32-28-40(39-18-13-17-38(33-39)36-15-7-5-8-16-36)34-47(48)44-31-27-41(35-49(44)54(53,3)4)37-25-29-43(30-26-37)55(42-19-9-6-10-20-42)50-23-14-22-46-45-21-11-12-24-51(45)56-52(46)50/h5-35H,1-4H3.
What are the key properties of N-phenyl-N-[4-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]phenyl]dibenzofuran-4-amine?
N-phenyl-N-[4-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]phenyl]dibenzofuran-4-amine has a molecular weight of 721.94 g/mol, XLogP of 15.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]phenyl]dibenzofuran-4-amine is sourced from PubChem (CID 163587007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).