N-(9,10-diphenylphenanthren-2-yl)-N-naphthalen-1-yldibenzofuran-2-amine

C48H31NO — CID 169064041

IUPACN-(9,10-diphenylphenanthren-2-yl)-N-naphthalen-1-yldibenzofuran-2-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(N(c4ccc5oc6ccccc6c5c4)c4cccc5ccccc45)ccc3c3ccccc23)cc1
InChIInChI=1S/C48H31NO/c1-3-15-33(16-4-1)47-41-23-10-9-21-38(41)39-28-26-35(31-43(39)48(47)34-17-5-2-6-18-34)49(44-24-13-19-32-14-7-8-20-37(32)44)36-27-29-46-42(30-36)40-22-11-12-25-45(40)50-46/h1-31H
InChIKeySOUIKEZXDKIJTJ-UHFFFAOYSA-N
MW637.78 g/mol
LogP13.85
Rot. Bonds5

About N-(9,10-diphenylphenanthren-2-yl)-N-naphthalen-1-yldibenzofuran-2-amine

N-(9,10-diphenylphenanthren-2-yl)-N-naphthalen-1-yldibenzofuran-2-amine (PubChem CID 169064041) has the molecular formula C48H31NO and a molecular weight of 637.78 g/mol. Its IUPAC name is N-(9,10-diphenylphenanthren-2-yl)-N-naphthalen-1-yldibenzofuran-2-amine.

Molecular Properties

Compound NameN-(9,10-diphenylphenanthren-2-yl)-N-naphthalen-1-yldibenzofuran-2-amine
PubChem CID169064041
Molecular FormulaC48H31NO
Molecular Weight637.78 g/mol
Exact Mass637.24
IUPAC NameN-(9,10-diphenylphenanthren-2-yl)-N-naphthalen-1-yldibenzofuran-2-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(N(c4ccc5oc6ccccc6c5c4)c4cccc5ccccc45)ccc3c3ccccc23)cc1
InChIInChI=1S/C48H31NO/c1-3-15-33(16-4-1)47-41-23-10-9-21-38(41)39-28-26-35(31-43(39)48(47)34-17-5-2-6-18-34)49(44-24-13-19-32-14-7-8-20-37(32)44)36-27-29-46-42(30-36)40-22-11-12-25-45(40)50-46/h1-31H
InChIKeySOUIKEZXDKIJTJ-UHFFFAOYSA-N
XLogP13.85
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.78
LogP ≤ 513.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(9,10-diphenylphenanthren-2-yl)-N-naphthalen-1-yldibenzofuran-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-dibenzofuran-2-yl-N-[3-(10-phenylphenanthren-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738912
2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-dinaphthalen-1-yl-9,10-diphenylanthracene-2,6-diamine
CID 89254464
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-2-yldibenzofuran-2-amine
CID 169062543
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)dibenzofuran-2-amine
CID 169062264
8-N,22-N-di(dibenzofuran-3-yl)-8-N,22-N-dinaphthalen-1-yl-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine
CID 165046375
N-[4-[3-[4-(N-dibenzofuran-2-ylanilino)phenyl]-5-phenylphenyl]phenyl]-N-phenyldibenzofuran-2-amine;N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;N-[4-[4-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 165024004
N-chrysen-1-yl-N-(3,4-diphenylphenyl)dibenzofuran-2-amine
CID 170138112
N-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]dibenzofuran-2-amine
CID 164748014
N-(4-dibenzofuran-2-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine
CID 129085231
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 169061751
N-dibenzofuran-2-yl-N-[3-[3-(10-phenylphenanthren-9-yl)phenyl]phenyl]dibenzofuran-2-amine
CID 134453715
N-naphthalen-1-yl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 168789935

Frequently Asked Questions

What is the IUPAC name of N-(9,10-diphenylphenanthren-2-yl)-N-naphthalen-1-yldibenzofuran-2-amine?
The IUPAC name of N-(9,10-diphenylphenanthren-2-yl)-N-naphthalen-1-yldibenzofuran-2-amine (CID 169064041) is N-(9,10-diphenylphenanthren-2-yl)-N-naphthalen-1-yldibenzofuran-2-amine.
What is the SMILES notation for N-(9,10-diphenylphenanthren-2-yl)-N-naphthalen-1-yldibenzofuran-2-amine?
The canonical SMILES for N-(9,10-diphenylphenanthren-2-yl)-N-naphthalen-1-yldibenzofuran-2-amine is c1ccc(-c2c(-c3ccccc3)c3cc(N(c4ccc5oc6ccccc6c5c4)c4cccc5ccccc45)ccc3c3ccccc23)cc1.
What is the InChIKey of N-(9,10-diphenylphenanthren-2-yl)-N-naphthalen-1-yldibenzofuran-2-amine?
The InChIKey is SOUIKEZXDKIJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31NO/c1-3-15-33(16-4-1)47-41-23-10-9-21-38(41)39-28-26-35(31-43(39)48(47)34-17-5-2-6-18-34)49(44-24-13-19-32-14-7-8-20-37(32)44)36-27-29-46-42(30-36)40-22-11-12-25-45(40)50-46/h1-31H.
What are the key properties of N-(9,10-diphenylphenanthren-2-yl)-N-naphthalen-1-yldibenzofuran-2-amine?
N-(9,10-diphenylphenanthren-2-yl)-N-naphthalen-1-yldibenzofuran-2-amine has a molecular weight of 637.78 g/mol, XLogP of 13.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,10-diphenylphenanthren-2-yl)-N-naphthalen-1-yldibenzofuran-2-amine is sourced from PubChem (CID 169064041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).