10-(3H-indol-2-yl)-N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine

C56H36N2O — CID 171754212

IUPAC10-(3H-indol-2-yl)-N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3cc4oc5ccc(C6=Nc7ccccc7C6)cc5c4c4ccccc34)cc2)cc1
InChIInChI=1S/C56H36N2O/c1-2-12-36(13-3-1)37-22-27-42(28-23-37)58(43-29-24-38(25-30-43)49-32-39-14-4-6-16-44(39)45-17-7-8-18-46(45)49)53-35-55-56(48-20-10-9-19-47(48)53)50-33-41(26-31-54(50)59-55)52-34-40-15-5-11-21-51(40)57-52/h1-33,35H,34H2
InChIKeyGOOWIWMBGBWFCL-UHFFFAOYSA-N
MW752.92 g/mol
LogP15.53
Rot. Bonds6

About 10-(3H-indol-2-yl)-N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine

10-(3H-indol-2-yl)-N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine (PubChem CID 171754212) has the molecular formula C56H36N2O and a molecular weight of 752.92 g/mol. Its IUPAC name is 10-(3H-indol-2-yl)-N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine.

Molecular Properties

Compound Name10-(3H-indol-2-yl)-N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine
PubChem CID171754212
Molecular FormulaC56H36N2O
Molecular Weight752.92 g/mol
Exact Mass752.28
IUPAC Name10-(3H-indol-2-yl)-N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3cc4oc5ccc(C6=Nc7ccccc7C6)cc5c4c4ccccc34)cc2)cc1
InChIInChI=1S/C56H36N2O/c1-2-12-36(13-3-1)37-22-27-42(28-23-37)58(43-29-24-38(25-30-43)49-32-39-14-4-6-16-44(39)45-17-7-8-18-46(45)49)53-35-55-56(48-20-10-9-19-47(48)53)50-33-41(26-31-54(50)59-55)52-34-40-15-5-11-21-51(40)57-52/h1-33,35H,34H2
InChIKeyGOOWIWMBGBWFCL-UHFFFAOYSA-N
XLogP15.53
TPSA28.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.92
LogP ≤ 515.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-10-(3H-indol-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine
CID 171754176
9-(3H-indol-2-yl)-N-(6-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine
CID 171754416
N-(4-phenanthren-9-ylphenyl)-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
CID 170301497
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine
CID 164707819
2-[4-(3H-indol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine
CID 171754676
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 88567900
N-(4-phenanthren-9-ylphenyl)-2-phenyl-N-(2-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167123135
1-phenanthren-3-yl-N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 177280903
N-[4-(3-naphtho[2,1-b][1]benzofuran-2-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline
CID 170127479
N-[2-[2-(4-naphtho[2,1-b][1]benzofuran-5-yl-N-phenanthren-9-ylanilino)phenyl]phenyl]-N-(4-phenanthren-2-ylphenyl)-7-phenylphenanthren-2-amine
CID 167086665
N-[4-[4-(N-phenylanilino)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
CID 153468645
N-phenanthren-9-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-2-amine
CID 89295821

Frequently Asked Questions

What is the IUPAC name of 10-(3H-indol-2-yl)-N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine?
The IUPAC name of 10-(3H-indol-2-yl)-N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine (CID 171754212) is 10-(3H-indol-2-yl)-N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine.
What is the SMILES notation for 10-(3H-indol-2-yl)-N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine?
The canonical SMILES for 10-(3H-indol-2-yl)-N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine is c1ccc(-c2ccc(N(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3cc4oc5ccc(C6=Nc7ccccc7C6)cc5c4c4ccccc34)cc2)cc1.
What is the InChIKey of 10-(3H-indol-2-yl)-N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine?
The InChIKey is GOOWIWMBGBWFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2O/c1-2-12-36(13-3-1)37-22-27-42(28-23-37)58(43-29-24-38(25-30-43)49-32-39-14-4-6-16-44(39)45-17-7-8-18-46(45)49)53-35-55-56(48-20-10-9-19-47(48)53)50-33-41(26-31-54(50)59-55)52-34-40-15-5-11-21-51(40)57-52/h1-33,35H,34H2.
What are the key properties of 10-(3H-indol-2-yl)-N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine?
10-(3H-indol-2-yl)-N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine has a molecular weight of 752.92 g/mol, XLogP of 15.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3H-indol-2-yl)-N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine is sourced from PubChem (CID 171754212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).