N-(4-benzo[g]phenanthren-4-ylphenyl)-N-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine

C52H33NO — CID 167183177

IUPACN-(4-benzo[g]phenanthren-4-ylphenyl)-N-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3cccc4c3ccc3ccc5ccccc5c34)cc2)c2ccc3c(c2)oc2ccc4ccccc4c23)cc1
InChIInChI=1S/C52H33NO/c1-2-11-34(12-3-1)42-15-8-9-20-48(42)53(40-29-31-47-50(33-40)54-49-32-26-36-14-5-7-17-44(36)52(47)49)39-27-23-37(24-28-39)41-18-10-19-46-45(41)30-25-38-22-21-35-13-4-6-16-43(35)51(38)46/h1-33H
InChIKeyGXRSBKSNXPVXDT-UHFFFAOYSA-N
MW687.84 g/mol
LogP15.00
Rot. Bonds5

About N-(4-benzo[g]phenanthren-4-ylphenyl)-N-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine

N-(4-benzo[g]phenanthren-4-ylphenyl)-N-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine (PubChem CID 167183177) has the molecular formula C52H33NO and a molecular weight of 687.84 g/mol. Its IUPAC name is N-(4-benzo[g]phenanthren-4-ylphenyl)-N-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine.

Molecular Properties

Compound NameN-(4-benzo[g]phenanthren-4-ylphenyl)-N-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
PubChem CID167183177
Molecular FormulaC52H33NO
Molecular Weight687.84 g/mol
Exact Mass687.26
IUPAC NameN-(4-benzo[g]phenanthren-4-ylphenyl)-N-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3cccc4c3ccc3ccc5ccccc5c34)cc2)c2ccc3c(c2)oc2ccc4ccccc4c23)cc1
InChIInChI=1S/C52H33NO/c1-2-11-34(12-3-1)42-15-8-9-20-48(42)53(40-29-31-47-50(33-40)54-49-32-26-36-14-5-7-17-44(36)52(47)49)39-27-23-37(24-28-39)41-18-10-19-46-45(41)30-25-38-22-21-35-13-4-6-16-43(35)51(38)46/h1-33H
InChIKeyGXRSBKSNXPVXDT-UHFFFAOYSA-N
XLogP15.00
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.84
LogP ≤ 515.00
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-naphtho[2,1-b][1]benzofuran-4-ylphenyl)-N-(2-phenylphenyl)naphthalen-2-amine
CID 170031061
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 167182926
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-2-phenylaniline
CID 167183418
N-(4-benzo[c]phenanthren-1-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine
CID 170229719
N-benzo[c]phenanthren-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 167184393
N-dibenzofuran-3-yl-N-[4-(2-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-4-amine
CID 170032953
5-naphtho[2,1-b][1]benzofuran-2-yl-N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)naphthalen-2-amine
CID 170127453
N-(2-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 167326199
N-dibenzofuran-1-yl-N-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-3-amine
CID 170032080
N-(4-naphtho[2,1-b][1]benzofuran-5-ylphenyl)-N-(2-phenylphenyl)phenanthren-3-amine
CID 170031062
N-(4-naphthalen-1-ylphenyl)-N-naphtho[2,1-b][1]benzofuran-9-yl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine
CID 164998659
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-6-phenyl-N-(2-phenylphenyl)naphthalen-2-amine
CID 170126967

Frequently Asked Questions

What is the IUPAC name of N-(4-benzo[g]phenanthren-4-ylphenyl)-N-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
The IUPAC name of N-(4-benzo[g]phenanthren-4-ylphenyl)-N-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine (CID 167183177) is N-(4-benzo[g]phenanthren-4-ylphenyl)-N-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine.
What is the SMILES notation for N-(4-benzo[g]phenanthren-4-ylphenyl)-N-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
The canonical SMILES for N-(4-benzo[g]phenanthren-4-ylphenyl)-N-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine is c1ccc(-c2ccccc2N(c2ccc(-c3cccc4c3ccc3ccc5ccccc5c34)cc2)c2ccc3c(c2)oc2ccc4ccccc4c23)cc1.
What is the InChIKey of N-(4-benzo[g]phenanthren-4-ylphenyl)-N-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
The InChIKey is GXRSBKSNXPVXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NO/c1-2-11-34(12-3-1)42-15-8-9-20-48(42)53(40-29-31-47-50(33-40)54-49-32-26-36-14-5-7-17-44(36)52(47)49)39-27-23-37(24-28-39)41-18-10-19-46-45(41)30-25-38-22-21-35-13-4-6-16-43(35)51(38)46/h1-33H.
What are the key properties of N-(4-benzo[g]phenanthren-4-ylphenyl)-N-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
N-(4-benzo[g]phenanthren-4-ylphenyl)-N-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine has a molecular weight of 687.84 g/mol, XLogP of 15.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzo[g]phenanthren-4-ylphenyl)-N-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine is sourced from PubChem (CID 167183177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).