N-[3-(5,6-diphenylindolo[2,3-b]indol-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine;N-[4-(5,6-diphenylindolo[2,3-b]indol-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-phenanthren-9-yl-5,6-diphenyl-N-(4-phenylphenyl)indolo[2,3-b]indol-2-amine

C162H109N9O — CID 157461164

IUPACN-[3-(5,6-diphenylindolo[2,3-b]indol-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine;N-[4-(5,6-diphenylindolo[2,3-b]indol-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-phenanthren-9-yl-5,6-diphenyl-N-(4-phenylphenyl)indolo[2,3-b]indol-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4c6ccccc6n(-c6ccccc6)c4n5-c4ccccc4)cc3)c3cccc4ccccc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)c3c5ccccc5n(-c5ccccc5)c3n4-c3ccccc3)c3cc4ccccc4c4ccccc34)cc2)cc1.c1ccc(-c2cccc(N(c3cccc(-c4ccc5c(c4)c4c6ccccc6n(-c6ccccc6)c4n5-c4ccccc4)c3)c3ccc4c(c3)oc3ccccc34)c2)cc1
InChIInChI=1S/C56H37N3O.C54H37N3.C52H35N3/c1-4-16-38(17-5-1)39-18-14-24-44(34-39)57(46-31-32-48-47-26-11-13-29-53(47)60-54(48)37-46)45-25-15-19-40(35-45)41-30-33-52-50(36-41)55-49-27-10-12-28-51(49)58(42-20-6-2-7-21-42)56(55)59(52)43-22-8-3-9-23-43;1-4-15-38(16-5-1)39-27-32-45(33-28-39)55(50-26-14-18-41-17-10-11-23-47(41)50)46-34-29-40(30-35-46)42-31-36-52-49(37-42)53-48-24-12-13-25-51(48)56(43-19-6-2-7-20-43)54(53)57(52)44-21-8-3-9-22-44;1-4-16-36(17-5-1)37-28-30-41(31-29-37)53(50-34-38-18-10-11-23-43(38)44-24-12-13-25-45(44)50)42-32-33-49-47(35-42)51-46-26-14-15-27-48(46)54(39-19-6-2-7-20-39)52(51)55(49)40-21-8-3-9-22-40/h1-37H;1-37H;1-35H
InChIKeyBTXZWTYPSIFSGO-UHFFFAOYSA-N
MW2197.72 g/mol
LogP44.29
Rot. Bonds20

About N-[3-(5,6-diphenylindolo[2,3-b]indol-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine;N-[4-(5,6-diphenylindolo[2,3-b]indol-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-phenanthren-9-yl-5,6-diphenyl-N-(4-phenylphenyl)indolo[2,3-b]indol-2-amine

N-[3-(5,6-diphenylindolo[2,3-b]indol-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine;N-[4-(5,6-diphenylindolo[2,3-b]indol-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-phenanthren-9-yl-5,6-diphenyl-N-(4-phenylphenyl)indolo[2,3-b]indol-2-amine (PubChem CID 157461164) has the molecular formula C162H109N9O and a molecular weight of 2197.72 g/mol. Its IUPAC name is N-[3-(5,6-diphenylindolo[2,3-b]indol-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine;N-[4-(5,6-diphenylindolo[2,3-b]indol-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-phenanthren-9-yl-5,6-diphenyl-N-(4-phenylphenyl)indolo[2,3-b]indol-2-amine.

Molecular Properties

Compound NameN-[3-(5,6-diphenylindolo[2,3-b]indol-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine;N-[4-(5,6-diphenylindolo[2,3-b]indol-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-phenanthren-9-yl-5,6-diphenyl-N-(4-phenylphenyl)indolo[2,3-b]indol-2-amine
PubChem CID157461164
Molecular FormulaC162H109N9O
Molecular Weight2197.72 g/mol
Exact Mass2195.88
IUPAC NameN-[3-(5,6-diphenylindolo[2,3-b]indol-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine;N-[4-(5,6-diphenylindolo[2,3-b]indol-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-phenanthren-9-yl-5,6-diphenyl-N-(4-phenylphenyl)indolo[2,3-b]indol-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4c6ccccc6n(-c6ccccc6)c4n5-c4ccccc4)cc3)c3cccc4ccccc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)c3c5ccccc5n(-c5ccccc5)c3n4-c3ccccc3)c3cc4ccccc4c4ccccc34)cc2)cc1.c1ccc(-c2cccc(N(c3cccc(-c4ccc5c(c4)c4c6ccccc6n(-c6ccccc6)c4n5-c4ccccc4)c3)c3ccc4c(c3)oc3ccccc34)c2)cc1
InChIInChI=1S/C56H37N3O.C54H37N3.C52H35N3/c1-4-16-38(17-5-1)39-18-14-24-44(34-39)57(46-31-32-48-47-26-11-13-29-53(47)60-54(48)37-46)45-25-15-19-40(35-45)41-30-33-52-50(36-41)55-49-27-10-12-28-51(49)58(42-20-6-2-7-21-42)56(55)59(52)43-22-8-3-9-23-43;1-4-15-38(16-5-1)39-27-32-45(33-28-39)55(50-26-14-18-41-17-10-11-23-47(41)50)46-34-29-40(30-35-46)42-31-36-52-49(37-42)53-48-24-12-13-25-51(48)56(43-19-6-2-7-20-43)54(53)57(52)44-21-8-3-9-22-44;1-4-16-36(17-5-1)37-28-30-41(31-29-37)53(50-34-38-18-10-11-23-43(38)44-24-12-13-25-45(44)50)42-32-33-49-47(35-42)51-46-26-14-15-27-48(46)54(39-19-6-2-7-20-39)52(51)55(49)40-21-8-3-9-22-40/h1-37H;1-37H;1-35H
InChIKeyBTXZWTYPSIFSGO-UHFFFAOYSA-N
XLogP44.29
TPSA52.44 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds20
Heavy Atoms172
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002197.72
LogP ≤ 544.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N-[3-(5,6-diphenylindolo[2,3-b]indol-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine;N-[4-(5,6-diphenylindolo[2,3-b]indol-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-phenanthren-9-yl-5,6-diphenyl-N-(4-phenylphenyl)indolo[2,3-b]indol-2-amine with MolForge

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Related Compounds

N-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]dibenzothiophen-2-amine;N-naphthalen-1-yl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]dibenzothiophen-2-amine;N-phenanthren-9-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-3-amine
CID 162244796
N-phenanthren-9-yl-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 89295825
7-N-dibenzofuran-3-yl-3-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-7-N-(3-phenylphenyl)dibenzofuran-3,7-diamine
CID 170410174
3-N,9-N-di(dibenzofuran-3-yl)-3-N,9-N,5,6-tetraphenylindolo[2,3-b]indole-3,9-diamine
CID 137471523
N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)naphthalen-1-amine
CID 153314840
N-(3-carbazol-9-ylphenyl)-N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]naphthalen-1-amine
CID 148923282
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-3-phenanthren-2-ylaniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-2-(4-phenylphenyl)aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-3-(4-phenylphenyl)aniline
CID 158530680
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzofuran-3-amine
CID 129085164
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 161469744
3-N,7-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)-7-N-(3-phenylphenyl)dibenzofuran-3,7-diamine
CID 170410173
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)phenanthren-2-amine
CID 153314772
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)-3-phenanthren-2-ylaniline
CID 147669790

Frequently Asked Questions

What is the IUPAC name of N-[3-(5,6-diphenylindolo[2,3-b]indol-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine;N-[4-(5,6-diphenylindolo[2,3-b]indol-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-phenanthren-9-yl-5,6-diphenyl-N-(4-phenylphenyl)indolo[2,3-b]indol-2-amine?
The IUPAC name of N-[3-(5,6-diphenylindolo[2,3-b]indol-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine;N-[4-(5,6-diphenylindolo[2,3-b]indol-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-phenanthren-9-yl-5,6-diphenyl-N-(4-phenylphenyl)indolo[2,3-b]indol-2-amine (CID 157461164) is N-[3-(5,6-diphenylindolo[2,3-b]indol-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine;N-[4-(5,6-diphenylindolo[2,3-b]indol-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-phenanthren-9-yl-5,6-diphenyl-N-(4-phenylphenyl)indolo[2,3-b]indol-2-amine.
What is the SMILES notation for N-[3-(5,6-diphenylindolo[2,3-b]indol-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine;N-[4-(5,6-diphenylindolo[2,3-b]indol-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-phenanthren-9-yl-5,6-diphenyl-N-(4-phenylphenyl)indolo[2,3-b]indol-2-amine?
The canonical SMILES for N-[3-(5,6-diphenylindolo[2,3-b]indol-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine;N-[4-(5,6-diphenylindolo[2,3-b]indol-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-phenanthren-9-yl-5,6-diphenyl-N-(4-phenylphenyl)indolo[2,3-b]indol-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4c6ccccc6n(-c6ccccc6)c4n5-c4ccccc4)cc3)c3cccc4ccccc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)c3c5ccccc5n(-c5ccccc5)c3n4-c3ccccc3)c3cc4ccccc4c4ccccc34)cc2)cc1.c1ccc(-c2cccc(N(c3cccc(-c4ccc5c(c4)c4c6ccccc6n(-c6ccccc6)c4n5-c4ccccc4)c3)c3ccc4c(c3)oc3ccccc34)c2)cc1.
What is the InChIKey of N-[3-(5,6-diphenylindolo[2,3-b]indol-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine;N-[4-(5,6-diphenylindolo[2,3-b]indol-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-phenanthren-9-yl-5,6-diphenyl-N-(4-phenylphenyl)indolo[2,3-b]indol-2-amine?
The InChIKey is BTXZWTYPSIFSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37N3O.C54H37N3.C52H35N3/c1-4-16-38(17-5-1)39-18-14-24-44(34-39)57(46-31-32-48-47-26-11-13-29-53(47)60-54(48)37-46)45-25-15-19-40(35-45)41-30-33-52-50(36-41)55-49-27-10-12-28-51(49)58(42-20-6-2-7-21-42)56(55)59(52)43-22-8-3-9-23-43;1-4-15-38(16-5-1)39-27-32-45(33-28-39)55(50-26-14-18-41-17-10-11-23-47(41)50)46-34-29-40(30-35-46)42-31-36-52-49(37-42)53-48-24-12-13-25-51(48)56(43-19-6-2-7-20-43)54(53)57(52)44-21-8-3-9-22-44;1-4-16-36(17-5-1)37-28-30-41(31-29-37)53(50-34-38-18-10-11-23-43(38)44-24-12-13-25-45(44)50)42-32-33-49-47(35-42)51-46-26-14-15-27-48(46)54(39-19-6-2-7-20-39)52(51)55(49)40-21-8-3-9-22-40/h1-37H;1-37H;1-35H.
What are the key properties of N-[3-(5,6-diphenylindolo[2,3-b]indol-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine;N-[4-(5,6-diphenylindolo[2,3-b]indol-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-phenanthren-9-yl-5,6-diphenyl-N-(4-phenylphenyl)indolo[2,3-b]indol-2-amine?
N-[3-(5,6-diphenylindolo[2,3-b]indol-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine;N-[4-(5,6-diphenylindolo[2,3-b]indol-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-phenanthren-9-yl-5,6-diphenyl-N-(4-phenylphenyl)indolo[2,3-b]indol-2-amine has a molecular weight of 2197.72 g/mol, XLogP of 44.29, 20 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5,6-diphenylindolo[2,3-b]indol-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine;N-[4-(5,6-diphenylindolo[2,3-b]indol-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-phenanthren-9-yl-5,6-diphenyl-N-(4-phenylphenyl)indolo[2,3-b]indol-2-amine is sourced from PubChem (CID 157461164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).