1-N-dibenzofuran-2-yl-5-(11,11-dimethylbenzo[a]fluoren-9-yl)-1-N-phenyl-3-N-(3-phenylphenyl)-3-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-5-(11,11-diphenylbenzo[a]fluoren-9-yl)-1-N,1-N,3-N-tris(4-methylphenyl)benzene-1,3-diamine;3-N-dibenzothiophen-2-yl-5-(11,11-diphenylbenzo[a]fluoren-9-yl)-1-N,3-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,3-diamine

C208H146N6O2S — CID 159210601

IUPAC1-N-dibenzofuran-2-yl-5-(11,11-dimethylbenzo[a]fluoren-9-yl)-1-N-phenyl-3-N-(3-phenylphenyl)-3-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-5-(11,11-diphenylbenzo[a]fluoren-9-yl)-1-N,1-N,3-N-tris(4-methylphenyl)benzene-1,3-diamine;3-N-dibenzothiophen-2-yl-5-(11,11-diphenylbenzo[a]fluoren-9-yl)-1-N,3-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,3-diamine
SMILESCC1(C)c2cc(-c3cc(N(c4ccc(-c5ccccc5)cc4)c4cccc(-c5ccccc5)c4)cc(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)c3)ccc2-c2ccc3ccccc3c21.Cc1ccc(N(c2ccc(C)cc2)c2cc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3c-4ccc4ccccc34)cc(N(c3ccc(C)cc3)c3ccc4oc5ccccc5c4c3)c2)cc1.c1ccc(N(c2cc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3c-4ccc4ccccc34)cc(N(c3ccc4sc5ccccc5c4c3)c3cccc4ccccc34)c2)c2cccc3ccccc23)cc1
InChIInChI=1S/C73H48N2S.C68H50N2O.C67H48N2O/c1-4-25-54(26-5-1)73(55-27-6-2-7-28-55)67-46-52(39-41-63(67)65-42-38-51-22-12-15-33-62(51)72(65)73)53-44-58(74(56-29-8-3-9-30-56)68-35-18-23-49-20-10-13-31-60(49)68)47-59(45-53)75(69-36-19-24-50-21-11-14-32-61(50)69)57-40-43-71-66(48-57)64-34-16-17-37-70(64)76-71;1-45-22-30-53(31-23-45)69(54-32-24-46(2)25-33-54)57-40-50(41-58(43-57)70(55-34-26-47(3)27-35-55)56-36-39-66-63(44-56)61-20-12-13-21-65(61)71-66)49-29-37-60-62-38-28-48-14-10-11-19-59(48)67(62)68(64(60)42-49,51-15-6-4-7-16-51)52-17-8-5-9-18-52;1-67(2)63-42-50(32-36-59(63)61-37-31-48-21-12-13-26-58(48)66(61)67)51-40-56(68(52-23-10-5-11-24-52)55-35-38-65-62(44-55)60-27-14-15-28-64(60)70-65)43-57(41-51)69(53-33-29-47(30-34-53)45-17-6-3-7-18-45)54-25-16-22-49(39-54)46-19-8-4-9-20-46/h1-48H;4-44H,1-3H3;3-44H,1-2H3
InChIKeyKQLFKBOWZIZTAT-UHFFFAOYSA-N
MW2793.56 g/mol
LogP58.10
Rot. Bonds27

About 1-N-dibenzofuran-2-yl-5-(11,11-dimethylbenzo[a]fluoren-9-yl)-1-N-phenyl-3-N-(3-phenylphenyl)-3-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-5-(11,11-diphenylbenzo[a]fluoren-9-yl)-1-N,1-N,3-N-tris(4-methylphenyl)benzene-1,3-diamine;3-N-dibenzothiophen-2-yl-5-(11,11-diphenylbenzo[a]fluoren-9-yl)-1-N,3-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,3-diamine

1-N-dibenzofuran-2-yl-5-(11,11-dimethylbenzo[a]fluoren-9-yl)-1-N-phenyl-3-N-(3-phenylphenyl)-3-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-5-(11,11-diphenylbenzo[a]fluoren-9-yl)-1-N,1-N,3-N-tris(4-methylphenyl)benzene-1,3-diamine;3-N-dibenzothiophen-2-yl-5-(11,11-diphenylbenzo[a]fluoren-9-yl)-1-N,3-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,3-diamine (PubChem CID 159210601) has the molecular formula C208H146N6O2S and a molecular weight of 2793.56 g/mol. Its IUPAC name is 1-N-dibenzofuran-2-yl-5-(11,11-dimethylbenzo[a]fluoren-9-yl)-1-N-phenyl-3-N-(3-phenylphenyl)-3-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-5-(11,11-diphenylbenzo[a]fluoren-9-yl)-1-N,1-N,3-N-tris(4-methylphenyl)benzene-1,3-diamine;3-N-dibenzothiophen-2-yl-5-(11,11-diphenylbenzo[a]fluoren-9-yl)-1-N,3-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-dibenzofuran-2-yl-5-(11,11-dimethylbenzo[a]fluoren-9-yl)-1-N-phenyl-3-N-(3-phenylphenyl)-3-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-5-(11,11-diphenylbenzo[a]fluoren-9-yl)-1-N,1-N,3-N-tris(4-methylphenyl)benzene-1,3-diamine;3-N-dibenzothiophen-2-yl-5-(11,11-diphenylbenzo[a]fluoren-9-yl)-1-N,3-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,3-diamine
PubChem CID159210601
Molecular FormulaC208H146N6O2S
Molecular Weight2793.56 g/mol
Exact Mass2791.12
IUPAC Name1-N-dibenzofuran-2-yl-5-(11,11-dimethylbenzo[a]fluoren-9-yl)-1-N-phenyl-3-N-(3-phenylphenyl)-3-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-5-(11,11-diphenylbenzo[a]fluoren-9-yl)-1-N,1-N,3-N-tris(4-methylphenyl)benzene-1,3-diamine;3-N-dibenzothiophen-2-yl-5-(11,11-diphenylbenzo[a]fluoren-9-yl)-1-N,3-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,3-diamine
SMILESCC1(C)c2cc(-c3cc(N(c4ccc(-c5ccccc5)cc4)c4cccc(-c5ccccc5)c4)cc(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)c3)ccc2-c2ccc3ccccc3c21.Cc1ccc(N(c2ccc(C)cc2)c2cc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3c-4ccc4ccccc34)cc(N(c3ccc(C)cc3)c3ccc4oc5ccccc5c4c3)c2)cc1.c1ccc(N(c2cc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3c-4ccc4ccccc34)cc(N(c3ccc4sc5ccccc5c4c3)c3cccc4ccccc34)c2)c2cccc3ccccc23)cc1
InChIInChI=1S/C73H48N2S.C68H50N2O.C67H48N2O/c1-4-25-54(26-5-1)73(55-27-6-2-7-28-55)67-46-52(39-41-63(67)65-42-38-51-22-12-15-33-62(51)72(65)73)53-44-58(74(56-29-8-3-9-30-56)68-35-18-23-49-20-10-13-31-60(49)68)47-59(45-53)75(69-36-19-24-50-21-11-14-32-61(50)69)57-40-43-71-66(48-57)64-34-16-17-37-70(64)76-71;1-45-22-30-53(31-23-45)69(54-32-24-46(2)25-33-54)57-40-50(41-58(43-57)70(55-34-26-47(3)27-35-55)56-36-39-66-63(44-56)61-20-12-13-21-65(61)71-66)49-29-37-60-62-38-28-48-14-10-11-19-59(48)67(62)68(64(60)42-49,51-15-6-4-7-16-51)52-17-8-5-9-18-52;1-67(2)63-42-50(32-36-59(63)61-37-31-48-21-12-13-26-58(48)66(61)67)51-40-56(68(52-23-10-5-11-24-52)55-35-38-65-62(44-55)60-27-14-15-28-64(60)70-65)43-57(41-51)69(53-33-29-47(30-34-53)45-17-6-3-7-18-45)54-25-16-22-49(39-54)46-19-8-4-9-20-46/h1-48H;4-44H,1-3H3;3-44H,1-2H3
InChIKeyKQLFKBOWZIZTAT-UHFFFAOYSA-N
XLogP58.10
TPSA45.72 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds27
Heavy Atoms217
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002793.56
LogP ≤ 558.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-N-dibenzofuran-2-yl-5-(11,11-dimethylbenzo[a]fluoren-9-yl)-1-N-phenyl-3-N-(3-phenylphenyl)-3-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-5-(11,11-diphenylbenzo[a]fluoren-9-yl)-1-N,1-N,3-N-tris(4-methylphenyl)benzene-1,3-diamine;3-N-dibenzothiophen-2-yl-5-(11,11-diphenylbenzo[a]fluoren-9-yl)-1-N,3-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,3-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-N-dibenzofuran-2-yl-5-(11,11-dimethylbenzo[a]fluoren-9-yl)-1-N-phenyl-3-N-(3-phenylphenyl)-3-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-5-(11,11-diphenylbenzo[a]fluoren-9-yl)-1-N,1-N,3-N-tris(4-methylphenyl)benzene-1,3-diamine;3-N-dibenzothiophen-2-yl-5-(11,11-diphenylbenzo[a]fluoren-9-yl)-1-N,3-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,3-diamine?
The IUPAC name of 1-N-dibenzofuran-2-yl-5-(11,11-dimethylbenzo[a]fluoren-9-yl)-1-N-phenyl-3-N-(3-phenylphenyl)-3-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-5-(11,11-diphenylbenzo[a]fluoren-9-yl)-1-N,1-N,3-N-tris(4-methylphenyl)benzene-1,3-diamine;3-N-dibenzothiophen-2-yl-5-(11,11-diphenylbenzo[a]fluoren-9-yl)-1-N,3-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,3-diamine (CID 159210601) is 1-N-dibenzofuran-2-yl-5-(11,11-dimethylbenzo[a]fluoren-9-yl)-1-N-phenyl-3-N-(3-phenylphenyl)-3-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-5-(11,11-diphenylbenzo[a]fluoren-9-yl)-1-N,1-N,3-N-tris(4-methylphenyl)benzene-1,3-diamine;3-N-dibenzothiophen-2-yl-5-(11,11-diphenylbenzo[a]fluoren-9-yl)-1-N,3-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,3-diamine.
What is the SMILES notation for 1-N-dibenzofuran-2-yl-5-(11,11-dimethylbenzo[a]fluoren-9-yl)-1-N-phenyl-3-N-(3-phenylphenyl)-3-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-5-(11,11-diphenylbenzo[a]fluoren-9-yl)-1-N,1-N,3-N-tris(4-methylphenyl)benzene-1,3-diamine;3-N-dibenzothiophen-2-yl-5-(11,11-diphenylbenzo[a]fluoren-9-yl)-1-N,3-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,3-diamine?
The canonical SMILES for 1-N-dibenzofuran-2-yl-5-(11,11-dimethylbenzo[a]fluoren-9-yl)-1-N-phenyl-3-N-(3-phenylphenyl)-3-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-5-(11,11-diphenylbenzo[a]fluoren-9-yl)-1-N,1-N,3-N-tris(4-methylphenyl)benzene-1,3-diamine;3-N-dibenzothiophen-2-yl-5-(11,11-diphenylbenzo[a]fluoren-9-yl)-1-N,3-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,3-diamine is CC1(C)c2cc(-c3cc(N(c4ccc(-c5ccccc5)cc4)c4cccc(-c5ccccc5)c4)cc(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)c3)ccc2-c2ccc3ccccc3c21.Cc1ccc(N(c2ccc(C)cc2)c2cc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3c-4ccc4ccccc34)cc(N(c3ccc(C)cc3)c3ccc4oc5ccccc5c4c3)c2)cc1.c1ccc(N(c2cc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3c-4ccc4ccccc34)cc(N(c3ccc4sc5ccccc5c4c3)c3cccc4ccccc34)c2)c2cccc3ccccc23)cc1.
What is the InChIKey of 1-N-dibenzofuran-2-yl-5-(11,11-dimethylbenzo[a]fluoren-9-yl)-1-N-phenyl-3-N-(3-phenylphenyl)-3-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-5-(11,11-diphenylbenzo[a]fluoren-9-yl)-1-N,1-N,3-N-tris(4-methylphenyl)benzene-1,3-diamine;3-N-dibenzothiophen-2-yl-5-(11,11-diphenylbenzo[a]fluoren-9-yl)-1-N,3-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,3-diamine?
The InChIKey is KQLFKBOWZIZTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H48N2S.C68H50N2O.C67H48N2O/c1-4-25-54(26-5-1)73(55-27-6-2-7-28-55)67-46-52(39-41-63(67)65-42-38-51-22-12-15-33-62(51)72(65)73)53-44-58(74(56-29-8-3-9-30-56)68-35-18-23-49-20-10-13-31-60(49)68)47-59(45-53)75(69-36-19-24-50-21-11-14-32-61(50)69)57-40-43-71-66(48-57)64-34-16-17-37-70(64)76-71;1-45-22-30-53(31-23-45)69(54-32-24-46(2)25-33-54)57-40-50(41-58(43-57)70(55-34-26-47(3)27-35-55)56-36-39-66-63(44-56)61-20-12-13-21-65(61)71-66)49-29-37-60-62-38-28-48-14-10-11-19-59(48)67(62)68(64(60)42-49,51-15-6-4-7-16-51)52-17-8-5-9-18-52;1-67(2)63-42-50(32-36-59(63)61-37-31-48-21-12-13-26-58(48)66(61)67)51-40-56(68(52-23-10-5-11-24-52)55-35-38-65-62(44-55)60-27-14-15-28-64(60)70-65)43-57(41-51)69(53-33-29-47(30-34-53)45-17-6-3-7-18-45)54-25-16-22-49(39-54)46-19-8-4-9-20-46/h1-48H;4-44H,1-3H3;3-44H,1-2H3.
What are the key properties of 1-N-dibenzofuran-2-yl-5-(11,11-dimethylbenzo[a]fluoren-9-yl)-1-N-phenyl-3-N-(3-phenylphenyl)-3-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-5-(11,11-diphenylbenzo[a]fluoren-9-yl)-1-N,1-N,3-N-tris(4-methylphenyl)benzene-1,3-diamine;3-N-dibenzothiophen-2-yl-5-(11,11-diphenylbenzo[a]fluoren-9-yl)-1-N,3-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,3-diamine?
1-N-dibenzofuran-2-yl-5-(11,11-dimethylbenzo[a]fluoren-9-yl)-1-N-phenyl-3-N-(3-phenylphenyl)-3-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-5-(11,11-diphenylbenzo[a]fluoren-9-yl)-1-N,1-N,3-N-tris(4-methylphenyl)benzene-1,3-diamine;3-N-dibenzothiophen-2-yl-5-(11,11-diphenylbenzo[a]fluoren-9-yl)-1-N,3-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,3-diamine has a molecular weight of 2793.56 g/mol, XLogP of 58.10, 27 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-dibenzofuran-2-yl-5-(11,11-dimethylbenzo[a]fluoren-9-yl)-1-N-phenyl-3-N-(3-phenylphenyl)-3-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-5-(11,11-diphenylbenzo[a]fluoren-9-yl)-1-N,1-N,3-N-tris(4-methylphenyl)benzene-1,3-diamine;3-N-dibenzothiophen-2-yl-5-(11,11-diphenylbenzo[a]fluoren-9-yl)-1-N,3-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,3-diamine is sourced from PubChem (CID 159210601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).