N-phenyl-N-[1-(10-phenylphenanthren-9-yl)naphthalen-2-yl]dibenzofuran-3-amine

C48H31NO — CID 134453698

IUPACN-phenyl-N-[1-(10-phenylphenanthren-9-yl)naphthalen-2-yl]dibenzofuran-3-amine
SMILESc1ccc(-c2c(-c3c(N(c4ccccc4)c4ccc5c(c4)oc4ccccc45)ccc4ccccc34)c3ccccc3c3ccccc23)cc1
InChIInChI=1S/C48H31NO/c1-3-16-33(17-4-1)46-41-24-11-9-21-37(41)38-22-10-12-25-42(38)48(46)47-36-20-8-7-15-32(36)27-30-43(47)49(34-18-5-2-6-19-34)35-28-29-40-39-23-13-14-26-44(39)50-45(40)31-35/h1-31H
InChIKeyOFZDIXXRFKZLAQ-UHFFFAOYSA-N
MW637.78 g/mol
LogP13.85
Rot. Bonds5

About N-phenyl-N-[1-(10-phenylphenanthren-9-yl)naphthalen-2-yl]dibenzofuran-3-amine

N-phenyl-N-[1-(10-phenylphenanthren-9-yl)naphthalen-2-yl]dibenzofuran-3-amine (PubChem CID 134453698) has the molecular formula C48H31NO and a molecular weight of 637.78 g/mol. Its IUPAC name is N-phenyl-N-[1-(10-phenylphenanthren-9-yl)naphthalen-2-yl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-phenyl-N-[1-(10-phenylphenanthren-9-yl)naphthalen-2-yl]dibenzofuran-3-amine
PubChem CID134453698
Molecular FormulaC48H31NO
Molecular Weight637.78 g/mol
Exact Mass637.24
IUPAC NameN-phenyl-N-[1-(10-phenylphenanthren-9-yl)naphthalen-2-yl]dibenzofuran-3-amine
SMILESc1ccc(-c2c(-c3c(N(c4ccccc4)c4ccc5c(c4)oc4ccccc45)ccc4ccccc34)c3ccccc3c3ccccc23)cc1
InChIInChI=1S/C48H31NO/c1-3-16-33(17-4-1)46-41-24-11-9-21-37(41)38-22-10-12-25-42(38)48(46)47-36-20-8-7-15-32(36)27-30-43(47)49(34-18-5-2-6-19-34)35-28-29-40-39-23-13-14-26-44(39)50-45(40)31-35/h1-31H
InChIKeyOFZDIXXRFKZLAQ-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-[4-(3,4-diphenylphenyl)phenyl]-N-(1-phenylnaphthalen-2-yl)dibenzofuran-3-amine
CID 177128275
1-dibenzofuran-3-yl-6-[4-[3-[N-(1-dibenzofuran-3-ylnaphthalen-2-yl)-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 156522847
7-N,17-N-diphenyl-7-N,17-N-bis(1-phenylnaphthalen-2-yl)-12-oxapentacyclo[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 171728091
N-(9,10-diphenylphenanthren-2-yl)-N-naphthalen-1-yldibenzofuran-2-amine
CID 169064041
1-N,10-N-di(dibenzofuran-3-yl)-1-N,10-N-diphenylchrysene-1,10-diamine
CID 170410635
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)dibenzofuran-3-amine
CID 169064275
N-phenanthren-9-yl-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 89295825
N-(4-naphthalen-2-ylphenyl)-N-[4-(5,6,7,8-tetraphenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine
CID 159997769
N-chrysen-6-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 170137080
N-(5-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-N-phenyldibenzofuran-3-amine
CID 167087562
N-naphthalen-1-yl-N-phenylnaphtho[2,3-b][1]benzofuran-3-amine
CID 170272670
N-naphthalen-2-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]naphthalen-1-yl]dibenzofuran-3-amine
CID 177116996

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[1-(10-phenylphenanthren-9-yl)naphthalen-2-yl]dibenzofuran-3-amine?
The IUPAC name of N-phenyl-N-[1-(10-phenylphenanthren-9-yl)naphthalen-2-yl]dibenzofuran-3-amine (CID 134453698) is N-phenyl-N-[1-(10-phenylphenanthren-9-yl)naphthalen-2-yl]dibenzofuran-3-amine.
What is the SMILES notation for N-phenyl-N-[1-(10-phenylphenanthren-9-yl)naphthalen-2-yl]dibenzofuran-3-amine?
The canonical SMILES for N-phenyl-N-[1-(10-phenylphenanthren-9-yl)naphthalen-2-yl]dibenzofuran-3-amine is c1ccc(-c2c(-c3c(N(c4ccccc4)c4ccc5c(c4)oc4ccccc45)ccc4ccccc34)c3ccccc3c3ccccc23)cc1.
What is the InChIKey of N-phenyl-N-[1-(10-phenylphenanthren-9-yl)naphthalen-2-yl]dibenzofuran-3-amine?
The InChIKey is OFZDIXXRFKZLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31NO/c1-3-16-33(17-4-1)46-41-24-11-9-21-37(41)38-22-10-12-25-42(38)48(46)47-36-20-8-7-15-32(36)27-30-43(47)49(34-18-5-2-6-19-34)35-28-29-40-39-23-13-14-26-44(39)50-45(40)31-35/h1-31H.
What are the key properties of N-phenyl-N-[1-(10-phenylphenanthren-9-yl)naphthalen-2-yl]dibenzofuran-3-amine?
N-phenyl-N-[1-(10-phenylphenanthren-9-yl)naphthalen-2-yl]dibenzofuran-3-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-phenyl-N-[1-(10-phenylphenanthren-9-yl)naphthalen-2-yl]dibenzofuran-3-amine is sourced from PubChem (CID 134453698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).