N-(9,10-diphenylphenanthren-2-yl)-N-phenylnaphtho[1,2-b][1]benzofuran-10-amine

C48H31NO — CID 169062757

IUPACN-(9,10-diphenylphenanthren-2-yl)-N-phenylnaphtho[1,2-b][1]benzofuran-10-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(N(c4ccccc4)c4cccc5c4oc4c6ccccc6ccc54)ccc3c3ccccc23)cc1
InChIInChI=1S/C48H31NO/c1-4-16-33(17-5-1)45-40-24-13-12-23-38(40)39-30-28-36(31-43(39)46(45)34-18-6-2-7-19-34)49(35-20-8-3-9-21-35)44-26-14-25-41-42-29-27-32-15-10-11-22-37(32)47(42)50-48(41)44/h1-31H
InChIKeySZIJNUOVSXKRHX-UHFFFAOYSA-N
MW637.78 g/mol
LogP13.85
Rot. Bonds5

About N-(9,10-diphenylphenanthren-2-yl)-N-phenylnaphtho[1,2-b][1]benzofuran-10-amine

N-(9,10-diphenylphenanthren-2-yl)-N-phenylnaphtho[1,2-b][1]benzofuran-10-amine (PubChem CID 169062757) 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-phenylnaphtho[1,2-b][1]benzofuran-10-amine.

Molecular Properties

Compound NameN-(9,10-diphenylphenanthren-2-yl)-N-phenylnaphtho[1,2-b][1]benzofuran-10-amine
PubChem CID169062757
Molecular FormulaC48H31NO
Molecular Weight637.78 g/mol
Exact Mass637.24
IUPAC NameN-(9,10-diphenylphenanthren-2-yl)-N-phenylnaphtho[1,2-b][1]benzofuran-10-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(N(c4ccccc4)c4cccc5c4oc4c6ccccc6ccc54)ccc3c3ccccc23)cc1
InChIInChI=1S/C48H31NO/c1-4-16-33(17-5-1)45-40-24-13-12-23-38(40)39-30-28-36(31-43(39)46(45)34-18-6-2-7-19-34)49(35-20-8-3-9-21-35)44-26-14-25-41-42-29-27-32-15-10-11-22-37(32)47(42)50-48(41)44/h1-31H
InChIKeySZIJNUOVSXKRHX-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'}

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Related Compounds

N-(9,10-diphenylphenanthren-2-yl)-N-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 169061749
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 169063295
4-N-naphtho[1,2-b][1]benzofuran-10-yl-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
CID 170372536
N-(3-phenanthren-9-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 169007710
2-N,6-N-dinaphthalen-1-yl-2-N,6-N,9,10-tetraphenylanthracene-2,6-diamine;2-N,2-N,6-N,6-N,9,10-hexakis-phenylanthracene-2,6-diamine
CID 159869915
N-chrysen-6-yl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 170140332
N-chrysen-1-yl-N-phenylnaphtho[1,2-b][1]benzofuran-8-amine
CID 170140586
N-dibenzofuran-4-yl-N-[4-(10-phenylphenanthren-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171739196
N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 168804045
N-phenyl-N-[4-[8-[4-(N-(3-phenylphenyl)anilino)phenyl]naphthalen-2-yl]phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 166917437
N-(4-benzo[g]phenanthren-3-ylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167182004
2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-dinaphthalen-1-yl-9,10-diphenylanthracene-2,6-diamine
CID 89254464

Frequently Asked Questions

What is the IUPAC name of N-(9,10-diphenylphenanthren-2-yl)-N-phenylnaphtho[1,2-b][1]benzofuran-10-amine?
The IUPAC name of N-(9,10-diphenylphenanthren-2-yl)-N-phenylnaphtho[1,2-b][1]benzofuran-10-amine (CID 169062757) is N-(9,10-diphenylphenanthren-2-yl)-N-phenylnaphtho[1,2-b][1]benzofuran-10-amine.
What is the SMILES notation for N-(9,10-diphenylphenanthren-2-yl)-N-phenylnaphtho[1,2-b][1]benzofuran-10-amine?
The canonical SMILES for N-(9,10-diphenylphenanthren-2-yl)-N-phenylnaphtho[1,2-b][1]benzofuran-10-amine is c1ccc(-c2c(-c3ccccc3)c3cc(N(c4ccccc4)c4cccc5c4oc4c6ccccc6ccc54)ccc3c3ccccc23)cc1.
What is the InChIKey of N-(9,10-diphenylphenanthren-2-yl)-N-phenylnaphtho[1,2-b][1]benzofuran-10-amine?
The InChIKey is SZIJNUOVSXKRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31NO/c1-4-16-33(17-5-1)45-40-24-13-12-23-38(40)39-30-28-36(31-43(39)46(45)34-18-6-2-7-19-34)49(35-20-8-3-9-21-35)44-26-14-25-41-42-29-27-32-15-10-11-22-37(32)47(42)50-48(41)44/h1-31H.
What are the key properties of N-(9,10-diphenylphenanthren-2-yl)-N-phenylnaphtho[1,2-b][1]benzofuran-10-amine?
N-(9,10-diphenylphenanthren-2-yl)-N-phenylnaphtho[1,2-b][1]benzofuran-10-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-phenylnaphtho[1,2-b][1]benzofuran-10-amine is sourced from PubChem (CID 169062757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).