2-N-dibenzofuran-2-yl-2-N-dibenzothiophen-2-yl-7-N,7-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzofuran-3-yl-2-N-(4-methylphenyl)-7-N,7-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzothiophen-3-yl-2-N-(3-methylphenyl)-7-N,7-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzothiophen-2-yl-2-N-phenanthren-2-yl-7-N,7-N-diphenyldibenzothiophene-2,7-diamine

C184H122N8O2S7 — CID 159492093

IUPAC2-N-dibenzofuran-2-yl-2-N-dibenzothiophen-2-yl-7-N,7-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzofuran-3-yl-2-N-(4-methylphenyl)-7-N,7-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzothiophen-3-yl-2-N-(3-methylphenyl)-7-N,7-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzothiophen-2-yl-2-N-phenanthren-2-yl-7-N,7-N-diphenyldibenzothiophene-2,7-diamine
SMILESCc1ccc(N(c2ccc3c(c2)oc2ccccc23)c2ccc3sc4cc(N(c5ccccc5)c5ccccc5)ccc4c3c2)cc1.Cc1cccc(N(c2ccc3c(c2)sc2ccccc23)c2ccc3sc4cc(N(c5ccccc5)c5ccccc5)ccc4c3c2)c1.c1ccc(N(c2ccccc2)c2ccc3c(c2)sc2ccc(N(c4ccc5c(ccc6ccccc65)c4)c4ccc5sc6ccccc6c5c4)cc23)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)sc2ccc(N(c4ccc5oc6ccccc6c5c4)c4ccc5sc6ccccc6c5c4)cc23)cc1
InChIInChI=1S/C50H32N2S2.C48H30N2OS2.C43H30N2OS.C43H30N2S2/c1-3-12-35(13-4-1)51(36-14-5-2-6-15-36)40-22-26-44-46-31-39(24-28-49(46)54-50(44)32-40)52(38-23-27-48-45(30-38)43-17-9-10-18-47(43)53-48)37-21-25-42-34(29-37)20-19-33-11-7-8-16-41(33)42;1-3-11-31(12-4-1)49(32-13-5-2-6-14-32)36-19-23-39-42-29-35(22-26-47(42)53-48(39)30-36)50(33-20-24-44-40(27-33)37-15-7-9-17-43(37)51-44)34-21-25-46-41(28-34)38-16-8-10-18-45(38)52-46;1-29-16-18-32(19-17-29)45(34-20-23-37-36-14-8-9-15-40(36)46-41(37)27-34)33-22-25-42-39(26-33)38-24-21-35(28-43(38)47-42)44(30-10-4-2-5-11-30)31-12-6-3-7-13-31;1-29-11-10-16-32(25-29)45(35-19-22-37-36-17-8-9-18-40(36)46-42(37)28-35)33-21-24-41-39(26-33)38-23-20-34(27-43(38)47-41)44(30-12-4-2-5-13-30)31-14-6-3-7-15-31/h1-32H;1-30H;2*2-28H,1H3
InChIKeyLYHYJHIXRYCOHY-UHFFFAOYSA-N
MW2701.52 g/mol
LogP57.80
Rot. Bonds24

About 2-N-dibenzofuran-2-yl-2-N-dibenzothiophen-2-yl-7-N,7-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzofuran-3-yl-2-N-(4-methylphenyl)-7-N,7-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzothiophen-3-yl-2-N-(3-methylphenyl)-7-N,7-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzothiophen-2-yl-2-N-phenanthren-2-yl-7-N,7-N-diphenyldibenzothiophene-2,7-diamine

2-N-dibenzofuran-2-yl-2-N-dibenzothiophen-2-yl-7-N,7-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzofuran-3-yl-2-N-(4-methylphenyl)-7-N,7-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzothiophen-3-yl-2-N-(3-methylphenyl)-7-N,7-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzothiophen-2-yl-2-N-phenanthren-2-yl-7-N,7-N-diphenyldibenzothiophene-2,7-diamine (PubChem CID 159492093) has the molecular formula C184H122N8O2S7 and a molecular weight of 2701.52 g/mol. Its IUPAC name is 2-N-dibenzofuran-2-yl-2-N-dibenzothiophen-2-yl-7-N,7-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzofuran-3-yl-2-N-(4-methylphenyl)-7-N,7-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzothiophen-3-yl-2-N-(3-methylphenyl)-7-N,7-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzothiophen-2-yl-2-N-phenanthren-2-yl-7-N,7-N-diphenyldibenzothiophene-2,7-diamine.

Molecular Properties

Compound Name2-N-dibenzofuran-2-yl-2-N-dibenzothiophen-2-yl-7-N,7-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzofuran-3-yl-2-N-(4-methylphenyl)-7-N,7-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzothiophen-3-yl-2-N-(3-methylphenyl)-7-N,7-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzothiophen-2-yl-2-N-phenanthren-2-yl-7-N,7-N-diphenyldibenzothiophene-2,7-diamine
PubChem CID159492093
Molecular FormulaC184H122N8O2S7
Molecular Weight2701.52 g/mol
Exact Mass2698.77
IUPAC Name2-N-dibenzofuran-2-yl-2-N-dibenzothiophen-2-yl-7-N,7-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzofuran-3-yl-2-N-(4-methylphenyl)-7-N,7-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzothiophen-3-yl-2-N-(3-methylphenyl)-7-N,7-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzothiophen-2-yl-2-N-phenanthren-2-yl-7-N,7-N-diphenyldibenzothiophene-2,7-diamine
SMILESCc1ccc(N(c2ccc3c(c2)oc2ccccc23)c2ccc3sc4cc(N(c5ccccc5)c5ccccc5)ccc4c3c2)cc1.Cc1cccc(N(c2ccc3c(c2)sc2ccccc23)c2ccc3sc4cc(N(c5ccccc5)c5ccccc5)ccc4c3c2)c1.c1ccc(N(c2ccccc2)c2ccc3c(c2)sc2ccc(N(c4ccc5c(ccc6ccccc65)c4)c4ccc5sc6ccccc6c5c4)cc23)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)sc2ccc(N(c4ccc5oc6ccccc6c5c4)c4ccc5sc6ccccc6c5c4)cc23)cc1
InChIInChI=1S/C50H32N2S2.C48H30N2OS2.C43H30N2OS.C43H30N2S2/c1-3-12-35(13-4-1)51(36-14-5-2-6-15-36)40-22-26-44-46-31-39(24-28-49(46)54-50(44)32-40)52(38-23-27-48-45(30-38)43-17-9-10-18-47(43)53-48)37-21-25-42-34(29-37)20-19-33-11-7-8-16-41(33)42;1-3-11-31(12-4-1)49(32-13-5-2-6-14-32)36-19-23-39-42-29-35(22-26-47(42)53-48(39)30-36)50(33-20-24-44-40(27-33)37-15-7-9-17-43(37)51-44)34-21-25-46-41(28-34)38-16-8-10-18-45(38)52-46;1-29-16-18-32(19-17-29)45(34-20-23-37-36-14-8-9-15-40(36)46-41(37)27-34)33-22-25-42-39(26-33)38-24-21-35(28-43(38)47-42)44(30-10-4-2-5-11-30)31-12-6-3-7-13-31;1-29-11-10-16-32(25-29)45(35-19-22-37-36-17-8-9-18-40(36)46-42(37)28-35)33-21-24-41-39(26-33)38-23-20-34(27-43(38)47-41)44(30-12-4-2-5-13-30)31-14-6-3-7-15-31/h1-32H;1-30H;2*2-28H,1H3
InChIKeyLYHYJHIXRYCOHY-UHFFFAOYSA-N
XLogP57.80
TPSA52.20 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds24
Heavy Atoms201
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002701.52
LogP ≤ 557.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 2-N-dibenzofuran-2-yl-2-N-dibenzothiophen-2-yl-7-N,7-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzofuran-3-yl-2-N-(4-methylphenyl)-7-N,7-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzothiophen-3-yl-2-N-(3-methylphenyl)-7-N,7-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzothiophen-2-yl-2-N-phenanthren-2-yl-7-N,7-N-diphenyldibenzothiophene-2,7-diamine with MolForge

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Related Compounds

3-N-dibenzothiophen-3-yl-3-N-(10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-yl)-1-N,1-N-diphenylbenzene-1,3-diamine
CID 159064686
N-dibenzothiophen-3-yl-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-18-amine
CID 170779092
1-N,3-N-bis(3-methylphenyl)-1-N,3-N,5-N-triphenyl-5-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]benzene-1,3,5-triamine;5-N-(4-dibenzofuran-2-ylphenyl)-1-N,3-N-bis(3-methylphenyl)-1-N,3-N-diphenyl-5-N-triphenylen-2-ylbenzene-1,3,5-triamine;3-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N,5-N,5-N-tetraphenyl-3-N-triphenylen-2-ylbenzene-1,3,5-triamine;3-N-(4-dibenzothiophen-2-ylphenyl)-1-N,5-N-diphenyl-1-N,5-N-bis(4-phenylphenyl)-3-N-triphenylen-2-ylbenzene-1,3,5-triamine;1-N,3-N-dinaphthalen-1-yl-1-N,3-N,5-N-triphenyl-5-N-[4-(8-phenyldibenzothiophen-2-yl)phenyl]benzene-1,3,5-triamine;1-N,3-N,5-N-triphenyl-3-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-1-N,5-N-bis(4-phenylphenyl)benzene-1,3,5-triamine
CID 160604372
N-[4-[4-(N-dibenzothiophen-2-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine;N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 161374051
7-N-dibenzofuran-2-yl-19-N-dibenzothiophen-2-yl-7-N,19-N-diphenyl-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine
CID 146694397
7-N-dibenzofuran-3-yl-2-N-dibenzothiophen-3-yl-2-N,7-N-diphenylnaphthalene-2,7-diamine
CID 166917120
N-chrysen-3-yl-N-dibenzothiophen-2-yldibenzofuran-3-amine
CID 170137144
N-(4-chrysen-2-ylphenyl)-N-dibenzothiophen-3-yldibenzofuran-3-amine
CID 170137660
2-N-dibenzofuran-3-yl-7-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 146574016
N-benzo[g]phenanthren-3-yl-N-dibenzothiophen-3-yldibenzofuran-3-amine
CID 167183946
3-N-dibenzofuran-2-yl-3-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-1-N,1-N-diphenylbenzene-1,3-diamine
CID 134198268
2-N-dibenzofuran-3-yl-10-N-dibenzothiophen-3-yl-2-N,10-N-diphenylphenanthrene-2,10-diamine
CID 170410775

Frequently Asked Questions

What is the IUPAC name of 2-N-dibenzofuran-2-yl-2-N-dibenzothiophen-2-yl-7-N,7-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzofuran-3-yl-2-N-(4-methylphenyl)-7-N,7-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzothiophen-3-yl-2-N-(3-methylphenyl)-7-N,7-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzothiophen-2-yl-2-N-phenanthren-2-yl-7-N,7-N-diphenyldibenzothiophene-2,7-diamine?
The IUPAC name of 2-N-dibenzofuran-2-yl-2-N-dibenzothiophen-2-yl-7-N,7-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzofuran-3-yl-2-N-(4-methylphenyl)-7-N,7-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzothiophen-3-yl-2-N-(3-methylphenyl)-7-N,7-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzothiophen-2-yl-2-N-phenanthren-2-yl-7-N,7-N-diphenyldibenzothiophene-2,7-diamine (CID 159492093) is 2-N-dibenzofuran-2-yl-2-N-dibenzothiophen-2-yl-7-N,7-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzofuran-3-yl-2-N-(4-methylphenyl)-7-N,7-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzothiophen-3-yl-2-N-(3-methylphenyl)-7-N,7-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzothiophen-2-yl-2-N-phenanthren-2-yl-7-N,7-N-diphenyldibenzothiophene-2,7-diamine.
What is the SMILES notation for 2-N-dibenzofuran-2-yl-2-N-dibenzothiophen-2-yl-7-N,7-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzofuran-3-yl-2-N-(4-methylphenyl)-7-N,7-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzothiophen-3-yl-2-N-(3-methylphenyl)-7-N,7-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzothiophen-2-yl-2-N-phenanthren-2-yl-7-N,7-N-diphenyldibenzothiophene-2,7-diamine?
The canonical SMILES for 2-N-dibenzofuran-2-yl-2-N-dibenzothiophen-2-yl-7-N,7-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzofuran-3-yl-2-N-(4-methylphenyl)-7-N,7-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzothiophen-3-yl-2-N-(3-methylphenyl)-7-N,7-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzothiophen-2-yl-2-N-phenanthren-2-yl-7-N,7-N-diphenyldibenzothiophene-2,7-diamine is Cc1ccc(N(c2ccc3c(c2)oc2ccccc23)c2ccc3sc4cc(N(c5ccccc5)c5ccccc5)ccc4c3c2)cc1.Cc1cccc(N(c2ccc3c(c2)sc2ccccc23)c2ccc3sc4cc(N(c5ccccc5)c5ccccc5)ccc4c3c2)c1.c1ccc(N(c2ccccc2)c2ccc3c(c2)sc2ccc(N(c4ccc5c(ccc6ccccc65)c4)c4ccc5sc6ccccc6c5c4)cc23)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)sc2ccc(N(c4ccc5oc6ccccc6c5c4)c4ccc5sc6ccccc6c5c4)cc23)cc1.
What is the InChIKey of 2-N-dibenzofuran-2-yl-2-N-dibenzothiophen-2-yl-7-N,7-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzofuran-3-yl-2-N-(4-methylphenyl)-7-N,7-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzothiophen-3-yl-2-N-(3-methylphenyl)-7-N,7-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzothiophen-2-yl-2-N-phenanthren-2-yl-7-N,7-N-diphenyldibenzothiophene-2,7-diamine?
The InChIKey is LYHYJHIXRYCOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2S2.C48H30N2OS2.C43H30N2OS.C43H30N2S2/c1-3-12-35(13-4-1)51(36-14-5-2-6-15-36)40-22-26-44-46-31-39(24-28-49(46)54-50(44)32-40)52(38-23-27-48-45(30-38)43-17-9-10-18-47(43)53-48)37-21-25-42-34(29-37)20-19-33-11-7-8-16-41(33)42;1-3-11-31(12-4-1)49(32-13-5-2-6-14-32)36-19-23-39-42-29-35(22-26-47(42)53-48(39)30-36)50(33-20-24-44-40(27-33)37-15-7-9-17-43(37)51-44)34-21-25-46-41(28-34)38-16-8-10-18-45(38)52-46;1-29-16-18-32(19-17-29)45(34-20-23-37-36-14-8-9-15-40(36)46-41(37)27-34)33-22-25-42-39(26-33)38-24-21-35(28-43(38)47-42)44(30-10-4-2-5-11-30)31-12-6-3-7-13-31;1-29-11-10-16-32(25-29)45(35-19-22-37-36-17-8-9-18-40(36)46-42(37)28-35)33-21-24-41-39(26-33)38-23-20-34(27-43(38)47-41)44(30-12-4-2-5-13-30)31-14-6-3-7-15-31/h1-32H;1-30H;2*2-28H,1H3.
What are the key properties of 2-N-dibenzofuran-2-yl-2-N-dibenzothiophen-2-yl-7-N,7-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzofuran-3-yl-2-N-(4-methylphenyl)-7-N,7-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzothiophen-3-yl-2-N-(3-methylphenyl)-7-N,7-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzothiophen-2-yl-2-N-phenanthren-2-yl-7-N,7-N-diphenyldibenzothiophene-2,7-diamine?
2-N-dibenzofuran-2-yl-2-N-dibenzothiophen-2-yl-7-N,7-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzofuran-3-yl-2-N-(4-methylphenyl)-7-N,7-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzothiophen-3-yl-2-N-(3-methylphenyl)-7-N,7-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzothiophen-2-yl-2-N-phenanthren-2-yl-7-N,7-N-diphenyldibenzothiophene-2,7-diamine has a molecular weight of 2701.52 g/mol, XLogP of 57.80, 24 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-dibenzofuran-2-yl-2-N-dibenzothiophen-2-yl-7-N,7-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzofuran-3-yl-2-N-(4-methylphenyl)-7-N,7-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzothiophen-3-yl-2-N-(3-methylphenyl)-7-N,7-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzothiophen-2-yl-2-N-phenanthren-2-yl-7-N,7-N-diphenyldibenzothiophene-2,7-diamine is sourced from PubChem (CID 159492093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).