N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylindolo[2,3-b]indol-5-yl)phenyl]dibenzofuran-1-amine

C54H35N3O — CID 146360098

IUPACN-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylindolo[2,3-b]indol-5-yl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-n2c3ccccc3c3c4ccccc4n(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5cccc6oc7ccccc7c56)cc4)c32)cc1
InChIInChI=1S/C54H35N3O/c1-2-16-38(17-3-1)56-47-23-9-6-19-44(47)52-45-20-7-10-24-48(45)57(54(52)56)41-34-32-40(33-35-41)55(49-25-13-27-51-53(49)46-21-8-11-26-50(46)58-51)39-30-28-37(29-31-39)43-22-12-15-36-14-4-5-18-42(36)43/h1-35H
InChIKeyVYQGXZSXSHWYEZ-UHFFFAOYSA-N
MW741.89 g/mol
LogP14.92
Rot. Bonds6

About N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylindolo[2,3-b]indol-5-yl)phenyl]dibenzofuran-1-amine

N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylindolo[2,3-b]indol-5-yl)phenyl]dibenzofuran-1-amine (PubChem CID 146360098) has the molecular formula C54H35N3O and a molecular weight of 741.89 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylindolo[2,3-b]indol-5-yl)phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylindolo[2,3-b]indol-5-yl)phenyl]dibenzofuran-1-amine
PubChem CID146360098
Molecular FormulaC54H35N3O
Molecular Weight741.89 g/mol
Exact Mass741.28
IUPAC NameN-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylindolo[2,3-b]indol-5-yl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-n2c3ccccc3c3c4ccccc4n(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5cccc6oc7ccccc7c56)cc4)c32)cc1
InChIInChI=1S/C54H35N3O/c1-2-16-38(17-3-1)56-47-23-9-6-19-44(47)52-45-20-7-10-24-48(45)57(54(52)56)41-34-32-40(33-35-41)55(49-25-13-27-51-53(49)46-21-8-11-26-50(46)58-51)39-30-28-37(29-31-39)43-22-12-15-36-14-4-5-18-42(36)43/h1-35H
InChIKeyVYQGXZSXSHWYEZ-UHFFFAOYSA-N
XLogP14.92
TPSA26.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.89
LogP ≤ 514.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)-N,9-diphenylcarbazol-4-amine
CID 170034217
9-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)carbazol-4-amine
CID 167061566
4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]dibenzofuran-1-amine
CID 168847918
N-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)phenanthren-4-amine
CID 155398009
N-(4-naphthalen-1-yldibenzofuran-1-yl)-N-(4-naphthalen-1-ylphenyl)-4-(9-phenylcarbazol-4-yl)dibenzofuran-1-amine
CID 168847740
N-(4-carbazol-9-ylphenyl)-2-dibenzofuran-1-yl-N-[3-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167325205
N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 172500744
4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(9-phenylcarbazol-4-yl)phenyl]phenyl]dibenzofuran-1-amine
CID 168848073
N,N-diphenyl-4-(6-phenylindolo[2,3-b]indol-5-yl)aniline;N-[4-(6-phenylindolo[2,3-b]indol-5-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine;4-phenyl-N-[4-(6-phenylindolo[2,3-b]indol-5-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 158842849
N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine
CID 168835696
N-dibenzofuran-1-yl-9-phenyl-5-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine
CID 169010129
N-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]dibenzofuran-1-amine
CID 153475737

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylindolo[2,3-b]indol-5-yl)phenyl]dibenzofuran-1-amine?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylindolo[2,3-b]indol-5-yl)phenyl]dibenzofuran-1-amine (CID 146360098) is N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylindolo[2,3-b]indol-5-yl)phenyl]dibenzofuran-1-amine.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylindolo[2,3-b]indol-5-yl)phenyl]dibenzofuran-1-amine?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylindolo[2,3-b]indol-5-yl)phenyl]dibenzofuran-1-amine is c1ccc(-n2c3ccccc3c3c4ccccc4n(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5cccc6oc7ccccc7c56)cc4)c32)cc1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylindolo[2,3-b]indol-5-yl)phenyl]dibenzofuran-1-amine?
The InChIKey is VYQGXZSXSHWYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3O/c1-2-16-38(17-3-1)56-47-23-9-6-19-44(47)52-45-20-7-10-24-48(45)57(54(52)56)41-34-32-40(33-35-41)55(49-25-13-27-51-53(49)46-21-8-11-26-50(46)58-51)39-30-28-37(29-31-39)43-22-12-15-36-14-4-5-18-42(36)43/h1-35H.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylindolo[2,3-b]indol-5-yl)phenyl]dibenzofuran-1-amine?
N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylindolo[2,3-b]indol-5-yl)phenyl]dibenzofuran-1-amine has a molecular weight of 741.89 g/mol, XLogP of 14.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylindolo[2,3-b]indol-5-yl)phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 146360098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).