N-(1-methyl-1,2-dihydrophenanthren-9-yl)-N-[4-(10-phenylphenanthren-9-yl)phenyl]dibenzofuran-4-amine

C53H37NO — CID 167008178

IUPACN-(1-methyl-1,2-dihydrophenanthren-9-yl)-N-[4-(10-phenylphenanthren-9-yl)phenyl]dibenzofuran-4-amine
SMILESCC1CC=Cc2c1cc(N(c1ccc(-c3c(-c4ccccc4)c4ccccc4c4ccccc34)cc1)c1cccc3c1oc1ccccc13)c1ccccc21
InChIInChI=1S/C53H37NO/c1-34-15-13-25-41-38-18-5-8-21-42(38)49(33-47(34)41)54(48-27-14-26-46-43-22-11-12-28-50(43)55-53(46)48)37-31-29-36(30-32-37)52-45-24-10-7-20-40(45)39-19-6-9-23-44(39)51(52)35-16-3-2-4-17-35/h2-14,16-34H,15H2,1H3
InChIKeyFZMMVUULIAGZAQ-UHFFFAOYSA-N
MW703.89 g/mol
LogP15.37
Rot. Bonds5

About N-(1-methyl-1,2-dihydrophenanthren-9-yl)-N-[4-(10-phenylphenanthren-9-yl)phenyl]dibenzofuran-4-amine

N-(1-methyl-1,2-dihydrophenanthren-9-yl)-N-[4-(10-phenylphenanthren-9-yl)phenyl]dibenzofuran-4-amine (PubChem CID 167008178) has the molecular formula C53H37NO and a molecular weight of 703.89 g/mol. Its IUPAC name is N-(1-methyl-1,2-dihydrophenanthren-9-yl)-N-[4-(10-phenylphenanthren-9-yl)phenyl]dibenzofuran-4-amine.

Molecular Properties

Compound NameN-(1-methyl-1,2-dihydrophenanthren-9-yl)-N-[4-(10-phenylphenanthren-9-yl)phenyl]dibenzofuran-4-amine
PubChem CID167008178
Molecular FormulaC53H37NO
Molecular Weight703.89 g/mol
Exact Mass703.29
IUPAC NameN-(1-methyl-1,2-dihydrophenanthren-9-yl)-N-[4-(10-phenylphenanthren-9-yl)phenyl]dibenzofuran-4-amine
SMILESCC1CC=Cc2c1cc(N(c1ccc(-c3c(-c4ccccc4)c4ccccc4c4ccccc34)cc1)c1cccc3c1oc1ccccc13)c1ccccc21
InChIInChI=1S/C53H37NO/c1-34-15-13-25-41-38-18-5-8-21-42(38)49(33-47(34)41)54(48-27-14-26-46-43-22-11-12-28-50(43)55-53(46)48)37-31-29-36(30-32-37)52-45-24-10-7-20-40(45)39-19-6-9-23-44(39)51(52)35-16-3-2-4-17-35/h2-14,16-34H,15H2,1H3
InChIKeyFZMMVUULIAGZAQ-UHFFFAOYSA-N
XLogP15.37
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.89
LogP ≤ 515.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 169064652
N-[3-[3-(10-phenylphenanthren-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 134453745
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine
CID 169064628
N-dibenzofuran-4-yl-N-[4-(10-phenylphenanthren-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171739196
N-dibenzofuran-4-yl-N,5-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167403132
N-dibenzofuran-4-yl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126744
N-phenanthren-1-yl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 118369410
N-[10-(3-phenylphenyl)phenanthren-9-yl]-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 155304327
N-dibenzofuran-4-yl-N,7-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423986
N-[7-[5-(N-dibenzofuran-4-yl-4-phenylanilino)-7-methylbenzo[c]fluoren-7-yl]-7-methylbenzo[c]fluoren-5-yl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 140862629
6-N,17-N-di(dibenzofuran-4-yl)-6-N,17-N-bis(2,6-dimethylphenyl)-3,10,13,20-tetraphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,17-diamine
CID 166033482
1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine
CID 162003891

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-1,2-dihydrophenanthren-9-yl)-N-[4-(10-phenylphenanthren-9-yl)phenyl]dibenzofuran-4-amine?
The IUPAC name of N-(1-methyl-1,2-dihydrophenanthren-9-yl)-N-[4-(10-phenylphenanthren-9-yl)phenyl]dibenzofuran-4-amine (CID 167008178) is N-(1-methyl-1,2-dihydrophenanthren-9-yl)-N-[4-(10-phenylphenanthren-9-yl)phenyl]dibenzofuran-4-amine.
What is the SMILES notation for N-(1-methyl-1,2-dihydrophenanthren-9-yl)-N-[4-(10-phenylphenanthren-9-yl)phenyl]dibenzofuran-4-amine?
The canonical SMILES for N-(1-methyl-1,2-dihydrophenanthren-9-yl)-N-[4-(10-phenylphenanthren-9-yl)phenyl]dibenzofuran-4-amine is CC1CC=Cc2c1cc(N(c1ccc(-c3c(-c4ccccc4)c4ccccc4c4ccccc34)cc1)c1cccc3c1oc1ccccc13)c1ccccc21.
What is the InChIKey of N-(1-methyl-1,2-dihydrophenanthren-9-yl)-N-[4-(10-phenylphenanthren-9-yl)phenyl]dibenzofuran-4-amine?
The InChIKey is FZMMVUULIAGZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37NO/c1-34-15-13-25-41-38-18-5-8-21-42(38)49(33-47(34)41)54(48-27-14-26-46-43-22-11-12-28-50(43)55-53(46)48)37-31-29-36(30-32-37)52-45-24-10-7-20-40(45)39-19-6-9-23-44(39)51(52)35-16-3-2-4-17-35/h2-14,16-34H,15H2,1H3.
What are the key properties of N-(1-methyl-1,2-dihydrophenanthren-9-yl)-N-[4-(10-phenylphenanthren-9-yl)phenyl]dibenzofuran-4-amine?
N-(1-methyl-1,2-dihydrophenanthren-9-yl)-N-[4-(10-phenylphenanthren-9-yl)phenyl]dibenzofuran-4-amine has a molecular weight of 703.89 g/mol, XLogP of 15.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-1,2-dihydrophenanthren-9-yl)-N-[4-(10-phenylphenanthren-9-yl)phenyl]dibenzofuran-4-amine is sourced from PubChem (CID 167008178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).