N,6-diphenyl-N-[7-(7-phenylindolo[1,2-a]quinolin-1-yl)phenanthren-2-yl]dibenzofuran-4-amine

C60H38N2O — CID 146508773

IUPACN,6-diphenyl-N-[7-(7-phenylindolo[1,2-a]quinolin-1-yl)phenanthren-2-yl]dibenzofuran-4-amine
SMILESc1ccc(-c2cccc3c2oc2c(N(c4ccccc4)c4ccc5c(ccc6cc(-c7cccc8ccc9c(-c%10ccccc%10)c%10ccccc%10n9c78)ccc65)c4)cccc23)cc1
InChIInChI=1S/C60H38N2O/c1-4-15-39(16-5-1)50-24-13-25-51-52-26-14-28-56(60(52)63-59(50)51)61(45-20-8-3-9-21-45)46-33-35-48-44(38-46)30-29-42-37-43(31-34-47(42)48)49-23-12-19-41-32-36-55-57(40-17-6-2-7-18-40)53-22-10-11-27-54(53)62(55)58(41)49/h1-38H
InChIKeyMENVMQZLPKYYGS-UHFFFAOYSA-N
MW802.98 g/mol
LogP16.92
Rot. Bonds6

About N,6-diphenyl-N-[7-(7-phenylindolo[1,2-a]quinolin-1-yl)phenanthren-2-yl]dibenzofuran-4-amine

N,6-diphenyl-N-[7-(7-phenylindolo[1,2-a]quinolin-1-yl)phenanthren-2-yl]dibenzofuran-4-amine (PubChem CID 146508773) has the molecular formula C60H38N2O and a molecular weight of 802.98 g/mol. Its IUPAC name is N,6-diphenyl-N-[7-(7-phenylindolo[1,2-a]quinolin-1-yl)phenanthren-2-yl]dibenzofuran-4-amine.

Molecular Properties

Compound NameN,6-diphenyl-N-[7-(7-phenylindolo[1,2-a]quinolin-1-yl)phenanthren-2-yl]dibenzofuran-4-amine
PubChem CID146508773
Molecular FormulaC60H38N2O
Molecular Weight802.98 g/mol
Exact Mass802.30
IUPAC NameN,6-diphenyl-N-[7-(7-phenylindolo[1,2-a]quinolin-1-yl)phenanthren-2-yl]dibenzofuran-4-amine
SMILESc1ccc(-c2cccc3c2oc2c(N(c4ccccc4)c4ccc5c(ccc6cc(-c7cccc8ccc9c(-c%10ccccc%10)c%10ccccc%10n9c78)ccc65)c4)cccc23)cc1
InChIInChI=1S/C60H38N2O/c1-4-15-39(16-5-1)50-24-13-25-51-52-26-14-28-56(60(52)63-59(50)51)61(45-20-8-3-9-21-45)46-33-35-48-44(38-46)30-29-42-37-43(31-34-47(42)48)49-23-12-19-41-32-36-55-57(40-17-6-2-7-18-40)53-22-10-11-27-54(53)62(55)58(41)49/h1-38H
InChIKeyMENVMQZLPKYYGS-UHFFFAOYSA-N
XLogP16.92
TPSA20.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.98
LogP ≤ 516.92
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

4-phenyl-N-[4-(7-phenylindolo[1,2-a]quinolin-1-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 146508951
N-(3,5-diphenylphenyl)-N-[4-(7-phenylindolo[1,2-a]quinolin-1-yl)phenyl]triphenylen-2-amine
CID 146508836
N,N-bis(4-phenanthren-9-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 142614505
6-[4-(2-naphthalen-2-ylphenyl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 134433049
N-[4-[4-(7-phenylindolo[1,2-a]quinolin-1-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 146508772
N-(3-phenanthren-9-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 169007710
N,N-diphenyl-7-(12-phenylindolo[1,2-b]isoquinolin-6-yl)dibenzofuran-3-amine;N,6-diphenyl-N-[7-(12-phenylindolo[1,2-b]isoquinolin-6-yl)phenanthren-2-yl]dibenzofuran-4-amine;N-[4-(12-naphthalen-1-ylindolo[1,2-b]isoquinolin-6-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;12-phenyl-N,N-bis(4-phenylphenyl)indolo[1,2-b]isoquinolin-6-amine;5-(12-phenylindolo[1,2-b]isoquinolin-6-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine;N-[4-[4-(12-phenylindolo[1,2-b]isoquinolin-6-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 157330945
N-(7-dibenzothiophen-4-ylphenanthren-2-yl)-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396362
N-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenanthren-2-amine
CID 168810031
7-N',17-N'-diphenyl-7-N',17-N'-bis(6-phenyldibenzofuran-4-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7',17'-diamine
CID 137492765
N-naphthalen-1-yl-6-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine
CID 164790578
N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397813

Frequently Asked Questions

What is the IUPAC name of N,6-diphenyl-N-[7-(7-phenylindolo[1,2-a]quinolin-1-yl)phenanthren-2-yl]dibenzofuran-4-amine?
The IUPAC name of N,6-diphenyl-N-[7-(7-phenylindolo[1,2-a]quinolin-1-yl)phenanthren-2-yl]dibenzofuran-4-amine (CID 146508773) is N,6-diphenyl-N-[7-(7-phenylindolo[1,2-a]quinolin-1-yl)phenanthren-2-yl]dibenzofuran-4-amine.
What is the SMILES notation for N,6-diphenyl-N-[7-(7-phenylindolo[1,2-a]quinolin-1-yl)phenanthren-2-yl]dibenzofuran-4-amine?
The canonical SMILES for N,6-diphenyl-N-[7-(7-phenylindolo[1,2-a]quinolin-1-yl)phenanthren-2-yl]dibenzofuran-4-amine is c1ccc(-c2cccc3c2oc2c(N(c4ccccc4)c4ccc5c(ccc6cc(-c7cccc8ccc9c(-c%10ccccc%10)c%10ccccc%10n9c78)ccc65)c4)cccc23)cc1.
What is the InChIKey of N,6-diphenyl-N-[7-(7-phenylindolo[1,2-a]quinolin-1-yl)phenanthren-2-yl]dibenzofuran-4-amine?
The InChIKey is MENVMQZLPKYYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N2O/c1-4-15-39(16-5-1)50-24-13-25-51-52-26-14-28-56(60(52)63-59(50)51)61(45-20-8-3-9-21-45)46-33-35-48-44(38-46)30-29-42-37-43(31-34-47(42)48)49-23-12-19-41-32-36-55-57(40-17-6-2-7-18-40)53-22-10-11-27-54(53)62(55)58(41)49/h1-38H.
What are the key properties of N,6-diphenyl-N-[7-(7-phenylindolo[1,2-a]quinolin-1-yl)phenanthren-2-yl]dibenzofuran-4-amine?
N,6-diphenyl-N-[7-(7-phenylindolo[1,2-a]quinolin-1-yl)phenanthren-2-yl]dibenzofuran-4-amine has a molecular weight of 802.98 g/mol, XLogP of 16.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-diphenyl-N-[7-(7-phenylindolo[1,2-a]quinolin-1-yl)phenanthren-2-yl]dibenzofuran-4-amine is sourced from PubChem (CID 146508773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).