N-dibenzofuran-3-yl-N-(9,9-diphenylfluoren-2-yl)dibenzo-p-dioxin-2-amine;N-dibenzothiophen-3-yl-N-(9,9-diphenylfluoren-2-yl)dibenzo-p-dioxin-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-2-yldibenzo-p-dioxin-2-amine

C149H95N3O7S — CID 157296303

IUPACN-dibenzofuran-3-yl-N-(9,9-diphenylfluoren-2-yl)dibenzo-p-dioxin-2-amine;N-dibenzothiophen-3-yl-N-(9,9-diphenylfluoren-2-yl)dibenzo-p-dioxin-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-2-yldibenzo-p-dioxin-2-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc5c(c4)Oc4ccccc4O5)c4ccc5c(c4)oc4ccccc45)cc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc5c(c4)Oc4ccccc4O5)c4ccc5c(c4)sc4ccccc45)cc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc5c(c4)Oc4ccccc4O5)c4ccc5c(ccc6ccccc65)c4)cc32)cc1
InChIInChI=1S/C51H33NO2.C49H31NO3.C49H31NO2S/c1-3-14-36(15-4-1)51(37-16-5-2-6-17-37)45-20-10-9-19-43(45)44-29-26-39(32-46(44)51)52(38-25-28-42-35(31-38)24-23-34-13-7-8-18-41(34)42)40-27-30-49-50(33-40)54-48-22-12-11-21-47(48)53-49;1-3-13-32(14-4-1)49(33-15-5-2-6-16-33)41-19-9-7-17-37(41)38-26-23-34(29-42(38)49)50(35-24-27-40-39-18-8-10-20-43(39)51-47(40)30-35)36-25-28-46-48(31-36)53-45-22-12-11-21-44(45)52-46;1-3-13-32(14-4-1)49(33-15-5-2-6-16-33)41-19-9-7-17-37(41)38-26-23-34(29-42(38)49)50(36-24-27-40-39-18-8-12-22-47(39)53-48(40)31-36)35-25-28-45-46(30-35)52-44-21-11-10-20-43(44)51-45/h1-33H;2*1-31H
InChIKeyBBJRAFICZNBUKJ-UHFFFAOYSA-N
MW2071.48 g/mol
LogP40.83
Rot. Bonds15

About N-dibenzofuran-3-yl-N-(9,9-diphenylfluoren-2-yl)dibenzo-p-dioxin-2-amine;N-dibenzothiophen-3-yl-N-(9,9-diphenylfluoren-2-yl)dibenzo-p-dioxin-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-2-yldibenzo-p-dioxin-2-amine

N-dibenzofuran-3-yl-N-(9,9-diphenylfluoren-2-yl)dibenzo-p-dioxin-2-amine;N-dibenzothiophen-3-yl-N-(9,9-diphenylfluoren-2-yl)dibenzo-p-dioxin-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-2-yldibenzo-p-dioxin-2-amine (PubChem CID 157296303) has the molecular formula C149H95N3O7S and a molecular weight of 2071.48 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N-(9,9-diphenylfluoren-2-yl)dibenzo-p-dioxin-2-amine;N-dibenzothiophen-3-yl-N-(9,9-diphenylfluoren-2-yl)dibenzo-p-dioxin-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-2-yldibenzo-p-dioxin-2-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-N-(9,9-diphenylfluoren-2-yl)dibenzo-p-dioxin-2-amine;N-dibenzothiophen-3-yl-N-(9,9-diphenylfluoren-2-yl)dibenzo-p-dioxin-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-2-yldibenzo-p-dioxin-2-amine
PubChem CID157296303
Molecular FormulaC149H95N3O7S
Molecular Weight2071.48 g/mol
Exact Mass2069.69
IUPAC NameN-dibenzofuran-3-yl-N-(9,9-diphenylfluoren-2-yl)dibenzo-p-dioxin-2-amine;N-dibenzothiophen-3-yl-N-(9,9-diphenylfluoren-2-yl)dibenzo-p-dioxin-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-2-yldibenzo-p-dioxin-2-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc5c(c4)Oc4ccccc4O5)c4ccc5c(c4)oc4ccccc45)cc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc5c(c4)Oc4ccccc4O5)c4ccc5c(c4)sc4ccccc45)cc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc5c(c4)Oc4ccccc4O5)c4ccc5c(ccc6ccccc65)c4)cc32)cc1
InChIInChI=1S/C51H33NO2.C49H31NO3.C49H31NO2S/c1-3-14-36(15-4-1)51(37-16-5-2-6-17-37)45-20-10-9-19-43(45)44-29-26-39(32-46(44)51)52(38-25-28-42-35(31-38)24-23-34-13-7-8-18-41(34)42)40-27-30-49-50(33-40)54-48-22-12-11-21-47(48)53-49;1-3-13-32(14-4-1)49(33-15-5-2-6-16-33)41-19-9-7-17-37(41)38-26-23-34(29-42(38)49)50(35-24-27-40-39-18-8-10-20-43(39)51-47(40)30-35)36-25-28-46-48(31-36)53-45-22-12-11-21-44(45)52-46;1-3-13-32(14-4-1)49(33-15-5-2-6-16-33)41-19-9-7-17-37(41)38-26-23-34(29-42(38)49)50(36-24-27-40-39-18-8-12-22-47(39)53-48(40)31-36)35-25-28-45-46(30-35)52-44-21-11-10-20-43(44)51-45/h1-33H;2*1-31H
InChIKeyBBJRAFICZNBUKJ-UHFFFAOYSA-N
XLogP40.83
TPSA78.24 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds15
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002071.48
LogP ≤ 540.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze N-dibenzofuran-3-yl-N-(9,9-diphenylfluoren-2-yl)dibenzo-p-dioxin-2-amine;N-dibenzothiophen-3-yl-N-(9,9-diphenylfluoren-2-yl)dibenzo-p-dioxin-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-2-yldibenzo-p-dioxin-2-amine with MolForge

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Related Compounds

8-N,22-N-di(dibenzothiophen-3-yl)-8-N,22-N-bis(9,9-diphenylfluoren-2-yl)-15-oxa-5,25-dithiaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine
CID 170235118
N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-3-yldibenzofuran-2-amine
CID 142589034
2-N-dibenzofuran-3-yl-9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-7-N-phenylfluorene-2,7-diamine;2-N-dibenzothiophen-3-yl-9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-7-N-phenylfluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-7-N-phenyl-2-N-(4-phenylphenyl)fluorene-2,7-diamine;7-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;7-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine
CID 159611762
7-N-dibenzofuran-3-yl-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;7-N-dibenzothiophen-3-yl-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;2-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 157280557
9-dibenzofuran-3-yl-N,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-(9-dibenzofuran-2-yl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;9-dibenzofuran-3-yl-N,N,9-triphenylfluoren-2-amine
CID 157052053
N-benzo[g]phenanthren-3-yl-N-dibenzothiophen-3-yldibenzofuran-3-amine
CID 167183946
N-[4-(4-phenylphenyl)phenyl]-N-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]dibenzofuran-3-amine;7-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[9-phenyl-9-(3-phenylphenyl)fluoren-2-yl]dibenzothiophen-3-amine;9-phenyl-9-(3-phenylphenyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 163854265
N-(10,10-diphenyl-17-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaenyl)-N-phenyldibenzofuran-3-amine
CID 168740238
N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-3-amine
CID 164981075
N-(4-naphthalen-1-ylphenyl)-N-[4-(14-phenyl-6-oxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-14-yl)phenyl]dibenzofuran-3-amine;N-[4-(14-phenyl-6-oxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-14-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine;N-[4-(14-phenyl-6-oxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-14-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-phenyl-N-[4-(14-phenyl-6-oxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-14-yl)phenyl]dibenzothiophen-3-amine
CID 161396501
N,N-bis(4-dibenzofuran-2-ylphenyl)dibenzofuran-2-amine;N,N-bis(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)dibenzofuran-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-methylphenyl)-9,9-diphenylfluoren-2-amine;N-dibenzothiophen-2-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine
CID 167549806
N-dibenzofuran-3-yl-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-amine;N-dibenzothiophen-3-yl-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3'-amine;N-(9,9-diphenylfluoren-2-yl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-amine;N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-amine;N-naphthalen-2-yl-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-amine;N-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3-amine
CID 161421352

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-N-(9,9-diphenylfluoren-2-yl)dibenzo-p-dioxin-2-amine;N-dibenzothiophen-3-yl-N-(9,9-diphenylfluoren-2-yl)dibenzo-p-dioxin-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-2-yldibenzo-p-dioxin-2-amine?
The IUPAC name of N-dibenzofuran-3-yl-N-(9,9-diphenylfluoren-2-yl)dibenzo-p-dioxin-2-amine;N-dibenzothiophen-3-yl-N-(9,9-diphenylfluoren-2-yl)dibenzo-p-dioxin-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-2-yldibenzo-p-dioxin-2-amine (CID 157296303) is N-dibenzofuran-3-yl-N-(9,9-diphenylfluoren-2-yl)dibenzo-p-dioxin-2-amine;N-dibenzothiophen-3-yl-N-(9,9-diphenylfluoren-2-yl)dibenzo-p-dioxin-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-2-yldibenzo-p-dioxin-2-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-N-(9,9-diphenylfluoren-2-yl)dibenzo-p-dioxin-2-amine;N-dibenzothiophen-3-yl-N-(9,9-diphenylfluoren-2-yl)dibenzo-p-dioxin-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-2-yldibenzo-p-dioxin-2-amine?
The canonical SMILES for N-dibenzofuran-3-yl-N-(9,9-diphenylfluoren-2-yl)dibenzo-p-dioxin-2-amine;N-dibenzothiophen-3-yl-N-(9,9-diphenylfluoren-2-yl)dibenzo-p-dioxin-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-2-yldibenzo-p-dioxin-2-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc5c(c4)Oc4ccccc4O5)c4ccc5c(c4)oc4ccccc45)cc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc5c(c4)Oc4ccccc4O5)c4ccc5c(c4)sc4ccccc45)cc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc5c(c4)Oc4ccccc4O5)c4ccc5c(ccc6ccccc65)c4)cc32)cc1.
What is the InChIKey of N-dibenzofuran-3-yl-N-(9,9-diphenylfluoren-2-yl)dibenzo-p-dioxin-2-amine;N-dibenzothiophen-3-yl-N-(9,9-diphenylfluoren-2-yl)dibenzo-p-dioxin-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-2-yldibenzo-p-dioxin-2-amine?
The InChIKey is BBJRAFICZNBUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33NO2.C49H31NO3.C49H31NO2S/c1-3-14-36(15-4-1)51(37-16-5-2-6-17-37)45-20-10-9-19-43(45)44-29-26-39(32-46(44)51)52(38-25-28-42-35(31-38)24-23-34-13-7-8-18-41(34)42)40-27-30-49-50(33-40)54-48-22-12-11-21-47(48)53-49;1-3-13-32(14-4-1)49(33-15-5-2-6-16-33)41-19-9-7-17-37(41)38-26-23-34(29-42(38)49)50(35-24-27-40-39-18-8-10-20-43(39)51-47(40)30-35)36-25-28-46-48(31-36)53-45-22-12-11-21-44(45)52-46;1-3-13-32(14-4-1)49(33-15-5-2-6-16-33)41-19-9-7-17-37(41)38-26-23-34(29-42(38)49)50(36-24-27-40-39-18-8-12-22-47(39)53-48(40)31-36)35-25-28-45-46(30-35)52-44-21-11-10-20-43(44)51-45/h1-33H;2*1-31H.
What are the key properties of N-dibenzofuran-3-yl-N-(9,9-diphenylfluoren-2-yl)dibenzo-p-dioxin-2-amine;N-dibenzothiophen-3-yl-N-(9,9-diphenylfluoren-2-yl)dibenzo-p-dioxin-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-2-yldibenzo-p-dioxin-2-amine?
N-dibenzofuran-3-yl-N-(9,9-diphenylfluoren-2-yl)dibenzo-p-dioxin-2-amine;N-dibenzothiophen-3-yl-N-(9,9-diphenylfluoren-2-yl)dibenzo-p-dioxin-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-2-yldibenzo-p-dioxin-2-amine has a molecular weight of 2071.48 g/mol, XLogP of 40.83, 15 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-N-(9,9-diphenylfluoren-2-yl)dibenzo-p-dioxin-2-amine;N-dibenzothiophen-3-yl-N-(9,9-diphenylfluoren-2-yl)dibenzo-p-dioxin-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-2-yldibenzo-p-dioxin-2-amine is sourced from PubChem (CID 157296303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).