N-phenanthren-3-yl-N-phenyl-11-(9-phenylcarbazol-1-yl)naphtho[2,1-b][1]benzofuran-3-amine

C54H34N2O — CID 176795994

IUPACN-phenanthren-3-yl-N-phenyl-11-(9-phenylcarbazol-1-yl)naphtho[2,1-b][1]benzofuran-3-amine
SMILESc1ccc(N(c2ccc3c(ccc4oc5cccc(-c6cccc7c8ccccc8n(-c8ccccc8)c67)c5c43)c2)c2ccc3ccc4ccccc4c3c2)cc1
InChIInChI=1S/C54H34N2O/c1-3-14-38(15-4-1)55(41-29-27-36-26-25-35-13-7-8-18-42(35)48(36)34-41)40-30-31-43-37(33-40)28-32-51-52(43)53-45(20-12-24-50(53)57-51)47-22-11-21-46-44-19-9-10-23-49(44)56(54(46)47)39-16-5-2-6-17-39/h1-34H
InChIKeyHCRKRERRKNDAJJ-UHFFFAOYSA-N
MW726.88 g/mol
LogP15.28
Rot. Bonds5

About N-phenanthren-3-yl-N-phenyl-11-(9-phenylcarbazol-1-yl)naphtho[2,1-b][1]benzofuran-3-amine

N-phenanthren-3-yl-N-phenyl-11-(9-phenylcarbazol-1-yl)naphtho[2,1-b][1]benzofuran-3-amine (PubChem CID 176795994) has the molecular formula C54H34N2O and a molecular weight of 726.88 g/mol. Its IUPAC name is N-phenanthren-3-yl-N-phenyl-11-(9-phenylcarbazol-1-yl)naphtho[2,1-b][1]benzofuran-3-amine.

Molecular Properties

Compound NameN-phenanthren-3-yl-N-phenyl-11-(9-phenylcarbazol-1-yl)naphtho[2,1-b][1]benzofuran-3-amine
PubChem CID176795994
Molecular FormulaC54H34N2O
Molecular Weight726.88 g/mol
Exact Mass726.27
IUPAC NameN-phenanthren-3-yl-N-phenyl-11-(9-phenylcarbazol-1-yl)naphtho[2,1-b][1]benzofuran-3-amine
SMILESc1ccc(N(c2ccc3c(ccc4oc5cccc(-c6cccc7c8ccccc8n(-c8ccccc8)c67)c5c43)c2)c2ccc3ccc4ccccc4c3c2)cc1
InChIInChI=1S/C54H34N2O/c1-3-14-38(15-4-1)55(41-29-27-36-26-25-35-13-7-8-18-42(35)48(36)34-41)40-30-31-43-37(33-40)28-32-51-52(43)53-45(20-12-24-50(53)57-51)47-22-11-21-46-44-19-9-10-23-49(44)56(54(46)47)39-16-5-2-6-17-39/h1-34H
InChIKeyHCRKRERRKNDAJJ-UHFFFAOYSA-N
XLogP15.28
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.88
LogP ≤ 515.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-phenanthren-3-yl-N-phenyl-11-(9-phenylcarbazol-1-yl)naphtho[2,1-b][1]benzofuran-3-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-phenanthren-3-yl-N-phenyl-3-(9-phenylcarbazol-1-yl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176795860
N-phenyl-11-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176795927
1-(9-phenylcarbazol-1-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176795791
N-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-11-phenylbenzo[a]carbazol-3-amine
CID 155034759
N-phenanthren-3-yl-N-phenyl-8-(9-phenylcarbazol-3-yl)naphtho[2,1-b][1]benzofuran-3-amine
CID 176795783
8-(9-phenylcarbazol-1-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
CID 176796055
N-(22-oxahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),16,18,20,24-dodecaen-6-yl)-N,9-diphenylcarbazol-1-amine
CID 164721760
8-(9-phenylcarbazol-1-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 176795645
N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 164790790
N-phenanthren-2-yl-N,3-diphenyl-3-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-6-amine
CID 176722974
N-chrysen-2-yl-N,9-diphenylcarbazol-3-amine
CID 170138733
N-phenanthren-2-yl-4-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine
CID 176820900

Frequently Asked Questions

What is the IUPAC name of N-phenanthren-3-yl-N-phenyl-11-(9-phenylcarbazol-1-yl)naphtho[2,1-b][1]benzofuran-3-amine?
The IUPAC name of N-phenanthren-3-yl-N-phenyl-11-(9-phenylcarbazol-1-yl)naphtho[2,1-b][1]benzofuran-3-amine (CID 176795994) is N-phenanthren-3-yl-N-phenyl-11-(9-phenylcarbazol-1-yl)naphtho[2,1-b][1]benzofuran-3-amine.
What is the SMILES notation for N-phenanthren-3-yl-N-phenyl-11-(9-phenylcarbazol-1-yl)naphtho[2,1-b][1]benzofuran-3-amine?
The canonical SMILES for N-phenanthren-3-yl-N-phenyl-11-(9-phenylcarbazol-1-yl)naphtho[2,1-b][1]benzofuran-3-amine is c1ccc(N(c2ccc3c(ccc4oc5cccc(-c6cccc7c8ccccc8n(-c8ccccc8)c67)c5c43)c2)c2ccc3ccc4ccccc4c3c2)cc1.
What is the InChIKey of N-phenanthren-3-yl-N-phenyl-11-(9-phenylcarbazol-1-yl)naphtho[2,1-b][1]benzofuran-3-amine?
The InChIKey is HCRKRERRKNDAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2O/c1-3-14-38(15-4-1)55(41-29-27-36-26-25-35-13-7-8-18-42(35)48(36)34-41)40-30-31-43-37(33-40)28-32-51-52(43)53-45(20-12-24-50(53)57-51)47-22-11-21-46-44-19-9-10-23-49(44)56(54(46)47)39-16-5-2-6-17-39/h1-34H.
What are the key properties of N-phenanthren-3-yl-N-phenyl-11-(9-phenylcarbazol-1-yl)naphtho[2,1-b][1]benzofuran-3-amine?
N-phenanthren-3-yl-N-phenyl-11-(9-phenylcarbazol-1-yl)naphtho[2,1-b][1]benzofuran-3-amine has a molecular weight of 726.88 g/mol, XLogP of 15.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenanthren-3-yl-N-phenyl-11-(9-phenylcarbazol-1-yl)naphtho[2,1-b][1]benzofuran-3-amine is sourced from PubChem (CID 176795994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).