2-N,7-N-diphenyl-2-N,7-N-bis(1,1,3,3-tetramethyl-2-benzofuran-5-yl)phenanthrene-2,7-diamine;2-N,7-N-diphenyl-2-N,7-N-bis(2,2,3,3-tetramethyl-1-benzofuran-5-yl)phenanthrene-2,7-diamine;2-N,7-N-diphenyl-2-N,7-N-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)phenanthrene-2,7-diamine;2-N,7-N-diphenyl-2-N,7-N-bis(4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)phenanthrene-2,7-diamine

C202H192N8O4 — CID 162266184

IUPAC2-N,7-N-diphenyl-2-N,7-N-bis(1,1,3,3-tetramethyl-2-benzofuran-5-yl)phenanthrene-2,7-diamine;2-N,7-N-diphenyl-2-N,7-N-bis(2,2,3,3-tetramethyl-1-benzofuran-5-yl)phenanthrene-2,7-diamine;2-N,7-N-diphenyl-2-N,7-N-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)phenanthrene-2,7-diamine;2-N,7-N-diphenyl-2-N,7-N-bis(4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)phenanthrene-2,7-diamine
SMILESCC1(C)CC(C)(C)c2cc(N(c3ccccc3)c3ccc4c(ccc5cc(N(c6ccccc6)c6ccc7c(c6)C(C)(C)CC7(C)C)ccc54)c3)ccc21.CC1(C)OC(C)(C)c2cc(N(c3ccccc3)c3ccc4c(ccc5cc(N(c6ccccc6)c6ccc7c(c6)C(C)(C)OC7(C)C)ccc54)c3)ccc21.CC1(C)Oc2ccc(N(c3ccccc3)c3ccc4c(ccc5cc(N(c6ccccc6)c6ccc7c(c6)C(C)(C)C(C)(C)O7)ccc54)c3)cc2C1(C)C.c1ccc(N(c2ccc3c(c2)C2CCC3CC2)c2ccc3c(ccc4cc(N(c5ccccc5)c5ccc6c(c5)C5CCC6CC5)ccc43)c2)cc1
InChIInChI=1S/C52H52N2.2C50H48N2O2.C50H44N2/c1-49(2)33-51(5,6)47-31-41(23-27-45(47)49)53(37-15-11-9-12-16-37)39-21-25-43-35(29-39)19-20-36-30-40(22-26-44(36)43)54(38-17-13-10-14-18-38)42-24-28-46-48(32-42)52(7,8)34-50(46,3)4;1-47(2)43-31-39(23-27-45(43)53-49(47,5)6)51(35-15-11-9-12-16-35)37-21-25-41-33(29-37)19-20-34-30-38(22-26-42(34)41)52(36-17-13-10-14-18-36)40-24-28-46-44(32-40)48(3,4)50(7,8)54-46;1-47(2)43-27-23-39(31-45(43)49(5,6)53-47)51(35-15-11-9-12-16-35)37-21-25-41-33(29-37)19-20-34-30-38(22-26-42(34)41)52(36-17-13-10-14-18-36)40-24-28-44-46(32-40)50(7,8)54-48(44,3)4;1-3-7-39(8-4-1)51(43-23-25-45-33-11-15-35(16-12-33)49(45)31-43)41-21-27-47-37(29-41)19-20-38-30-42(22-28-48(38)47)52(40-9-5-2-6-10-40)44-24-26-46-34-13-17-36(18-14-34)50(46)32-44/h9-32H,33-34H2,1-8H3;2*9-32H,1-8H3;1-10,19-36H,11-18H2
InChIKeyZZXXOYBWMHHBTE-UHFFFAOYSA-N
MW2795.81 g/mol
LogP57.06
Rot. Bonds24

About 2-N,7-N-diphenyl-2-N,7-N-bis(1,1,3,3-tetramethyl-2-benzofuran-5-yl)phenanthrene-2,7-diamine;2-N,7-N-diphenyl-2-N,7-N-bis(2,2,3,3-tetramethyl-1-benzofuran-5-yl)phenanthrene-2,7-diamine;2-N,7-N-diphenyl-2-N,7-N-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)phenanthrene-2,7-diamine;2-N,7-N-diphenyl-2-N,7-N-bis(4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)phenanthrene-2,7-diamine

2-N,7-N-diphenyl-2-N,7-N-bis(1,1,3,3-tetramethyl-2-benzofuran-5-yl)phenanthrene-2,7-diamine;2-N,7-N-diphenyl-2-N,7-N-bis(2,2,3,3-tetramethyl-1-benzofuran-5-yl)phenanthrene-2,7-diamine;2-N,7-N-diphenyl-2-N,7-N-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)phenanthrene-2,7-diamine;2-N,7-N-diphenyl-2-N,7-N-bis(4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)phenanthrene-2,7-diamine (PubChem CID 162266184) has the molecular formula C202H192N8O4 and a molecular weight of 2795.81 g/mol. Its IUPAC name is 2-N,7-N-diphenyl-2-N,7-N-bis(1,1,3,3-tetramethyl-2-benzofuran-5-yl)phenanthrene-2,7-diamine;2-N,7-N-diphenyl-2-N,7-N-bis(2,2,3,3-tetramethyl-1-benzofuran-5-yl)phenanthrene-2,7-diamine;2-N,7-N-diphenyl-2-N,7-N-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)phenanthrene-2,7-diamine;2-N,7-N-diphenyl-2-N,7-N-bis(4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)phenanthrene-2,7-diamine.

Molecular Properties

Compound Name2-N,7-N-diphenyl-2-N,7-N-bis(1,1,3,3-tetramethyl-2-benzofuran-5-yl)phenanthrene-2,7-diamine;2-N,7-N-diphenyl-2-N,7-N-bis(2,2,3,3-tetramethyl-1-benzofuran-5-yl)phenanthrene-2,7-diamine;2-N,7-N-diphenyl-2-N,7-N-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)phenanthrene-2,7-diamine;2-N,7-N-diphenyl-2-N,7-N-bis(4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)phenanthrene-2,7-diamine
PubChem CID162266184
Molecular FormulaC202H192N8O4
Molecular Weight2795.81 g/mol
Exact Mass2793.51
IUPAC Name2-N,7-N-diphenyl-2-N,7-N-bis(1,1,3,3-tetramethyl-2-benzofuran-5-yl)phenanthrene-2,7-diamine;2-N,7-N-diphenyl-2-N,7-N-bis(2,2,3,3-tetramethyl-1-benzofuran-5-yl)phenanthrene-2,7-diamine;2-N,7-N-diphenyl-2-N,7-N-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)phenanthrene-2,7-diamine;2-N,7-N-diphenyl-2-N,7-N-bis(4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)phenanthrene-2,7-diamine
SMILESCC1(C)CC(C)(C)c2cc(N(c3ccccc3)c3ccc4c(ccc5cc(N(c6ccccc6)c6ccc7c(c6)C(C)(C)CC7(C)C)ccc54)c3)ccc21.CC1(C)OC(C)(C)c2cc(N(c3ccccc3)c3ccc4c(ccc5cc(N(c6ccccc6)c6ccc7c(c6)C(C)(C)OC7(C)C)ccc54)c3)ccc21.CC1(C)Oc2ccc(N(c3ccccc3)c3ccc4c(ccc5cc(N(c6ccccc6)c6ccc7c(c6)C(C)(C)C(C)(C)O7)ccc54)c3)cc2C1(C)C.c1ccc(N(c2ccc3c(c2)C2CCC3CC2)c2ccc3c(ccc4cc(N(c5ccccc5)c5ccc6c(c5)C5CCC6CC5)ccc43)c2)cc1
InChIInChI=1S/C52H52N2.2C50H48N2O2.C50H44N2/c1-49(2)33-51(5,6)47-31-41(23-27-45(47)49)53(37-15-11-9-12-16-37)39-21-25-43-35(29-39)19-20-36-30-40(22-26-44(36)43)54(38-17-13-10-14-18-38)42-24-28-46-48(32-42)52(7,8)34-50(46,3)4;1-47(2)43-31-39(23-27-45(43)53-49(47,5)6)51(35-15-11-9-12-16-35)37-21-25-41-33(29-37)19-20-34-30-38(22-26-42(34)41)52(36-17-13-10-14-18-36)40-24-28-46-44(32-40)48(3,4)50(7,8)54-46;1-47(2)43-27-23-39(31-45(43)49(5,6)53-47)51(35-15-11-9-12-16-35)37-21-25-41-33(29-37)19-20-34-30-38(22-26-42(34)41)52(36-17-13-10-14-18-36)40-24-28-44-46(32-40)50(7,8)54-48(44,3)4;1-3-7-39(8-4-1)51(43-23-25-45-33-11-15-35(16-12-33)49(45)31-43)41-21-27-47-37(29-41)19-20-38-30-42(22-28-48(38)47)52(40-9-5-2-6-10-40)44-24-26-46-34-13-17-36(18-14-34)50(46)32-44/h9-32H,33-34H2,1-8H3;2*9-32H,1-8H3;1-10,19-36H,11-18H2
InChIKeyZZXXOYBWMHHBTE-UHFFFAOYSA-N
XLogP57.06
TPSA62.84 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds24
Heavy Atoms214
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002795.81
LogP ≤ 557.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-N,7-N-diphenyl-2-N,7-N-bis(1,1,3,3-tetramethyl-2-benzofuran-5-yl)phenanthrene-2,7-diamine;2-N,7-N-diphenyl-2-N,7-N-bis(2,2,3,3-tetramethyl-1-benzofuran-5-yl)phenanthrene-2,7-diamine;2-N,7-N-diphenyl-2-N,7-N-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)phenanthrene-2,7-diamine;2-N,7-N-diphenyl-2-N,7-N-bis(4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)phenanthrene-2,7-diamine with MolForge

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Related Compounds

N-phenyl-N-[3-[4-[3-(4-phenyl-N-(1,1,3,3-tetramethyl-2H-inden-5-yl)anilino)phenyl]phenyl]phenyl]naphthalen-2-amine
CID 170223052
2-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)phenanthrene-2,7-diamine
CID 154593035
2-N,7-N-bis(1,1,2,2,3,3-hexamethylinden-5-yl)-2-N,7-N-diphenylphenanthrene-2,7-diamine
CID 142500491
N-phenyl-N-[4-[4-(N-(1,1,3,3-tetramethyl-2H-inden-5-yl)anilino)phenyl]phenyl]naphthalen-1-amine
CID 170223047
N,N-diphenyl-4-(1,1,3,3-tetramethyl-2H-inden-5-yl)naphthalen-2-amine
CID 142500620
N,N-diphenyl-3-(2,2,3,3-tetramethyl-1-benzofuran-5-yl)naphthalen-1-amine
CID 142500831
5,5,8,8-tetramethyl-N-(3-methylphenyl)-N-phenyl-6,7-dihydronaphthalen-2-amine
CID 142500873
5,5,8,8-tetramethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydronaphthalen-2-amine
CID 171735917
2-N,7-N,7-N-triphenyl-2-N-[4-[4-(N-[7-(N-phenylanilino)phenanthren-2-yl]anilino)phenyl]phenyl]phenanthrene-2,7-diamine
CID 59754854
5,5,8,8-tetramethyl-N-phenyl-N-[4-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]phenyl]-6,7-dihydronaphthalen-2-amine
CID 171735963
N-(4-phenylphenyl)-N-(1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5-yl)dibenzofuran-3-amine
CID 178036901
16-N-(9,9-dimethylfluoren-2-yl)-16-N-phenanthren-2-yl-5-N,5-N-diphenyl-8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13(18),14,16,20(24),21-undecaene-5,16-diamine
CID 118030248

Frequently Asked Questions

What is the IUPAC name of 2-N,7-N-diphenyl-2-N,7-N-bis(1,1,3,3-tetramethyl-2-benzofuran-5-yl)phenanthrene-2,7-diamine;2-N,7-N-diphenyl-2-N,7-N-bis(2,2,3,3-tetramethyl-1-benzofuran-5-yl)phenanthrene-2,7-diamine;2-N,7-N-diphenyl-2-N,7-N-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)phenanthrene-2,7-diamine;2-N,7-N-diphenyl-2-N,7-N-bis(4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)phenanthrene-2,7-diamine?
The IUPAC name of 2-N,7-N-diphenyl-2-N,7-N-bis(1,1,3,3-tetramethyl-2-benzofuran-5-yl)phenanthrene-2,7-diamine;2-N,7-N-diphenyl-2-N,7-N-bis(2,2,3,3-tetramethyl-1-benzofuran-5-yl)phenanthrene-2,7-diamine;2-N,7-N-diphenyl-2-N,7-N-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)phenanthrene-2,7-diamine;2-N,7-N-diphenyl-2-N,7-N-bis(4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)phenanthrene-2,7-diamine (CID 162266184) is 2-N,7-N-diphenyl-2-N,7-N-bis(1,1,3,3-tetramethyl-2-benzofuran-5-yl)phenanthrene-2,7-diamine;2-N,7-N-diphenyl-2-N,7-N-bis(2,2,3,3-tetramethyl-1-benzofuran-5-yl)phenanthrene-2,7-diamine;2-N,7-N-diphenyl-2-N,7-N-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)phenanthrene-2,7-diamine;2-N,7-N-diphenyl-2-N,7-N-bis(4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)phenanthrene-2,7-diamine.
What is the SMILES notation for 2-N,7-N-diphenyl-2-N,7-N-bis(1,1,3,3-tetramethyl-2-benzofuran-5-yl)phenanthrene-2,7-diamine;2-N,7-N-diphenyl-2-N,7-N-bis(2,2,3,3-tetramethyl-1-benzofuran-5-yl)phenanthrene-2,7-diamine;2-N,7-N-diphenyl-2-N,7-N-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)phenanthrene-2,7-diamine;2-N,7-N-diphenyl-2-N,7-N-bis(4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)phenanthrene-2,7-diamine?
The canonical SMILES for 2-N,7-N-diphenyl-2-N,7-N-bis(1,1,3,3-tetramethyl-2-benzofuran-5-yl)phenanthrene-2,7-diamine;2-N,7-N-diphenyl-2-N,7-N-bis(2,2,3,3-tetramethyl-1-benzofuran-5-yl)phenanthrene-2,7-diamine;2-N,7-N-diphenyl-2-N,7-N-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)phenanthrene-2,7-diamine;2-N,7-N-diphenyl-2-N,7-N-bis(4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)phenanthrene-2,7-diamine is CC1(C)CC(C)(C)c2cc(N(c3ccccc3)c3ccc4c(ccc5cc(N(c6ccccc6)c6ccc7c(c6)C(C)(C)CC7(C)C)ccc54)c3)ccc21.CC1(C)OC(C)(C)c2cc(N(c3ccccc3)c3ccc4c(ccc5cc(N(c6ccccc6)c6ccc7c(c6)C(C)(C)OC7(C)C)ccc54)c3)ccc21.CC1(C)Oc2ccc(N(c3ccccc3)c3ccc4c(ccc5cc(N(c6ccccc6)c6ccc7c(c6)C(C)(C)C(C)(C)O7)ccc54)c3)cc2C1(C)C.c1ccc(N(c2ccc3c(c2)C2CCC3CC2)c2ccc3c(ccc4cc(N(c5ccccc5)c5ccc6c(c5)C5CCC6CC5)ccc43)c2)cc1.
What is the InChIKey of 2-N,7-N-diphenyl-2-N,7-N-bis(1,1,3,3-tetramethyl-2-benzofuran-5-yl)phenanthrene-2,7-diamine;2-N,7-N-diphenyl-2-N,7-N-bis(2,2,3,3-tetramethyl-1-benzofuran-5-yl)phenanthrene-2,7-diamine;2-N,7-N-diphenyl-2-N,7-N-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)phenanthrene-2,7-diamine;2-N,7-N-diphenyl-2-N,7-N-bis(4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)phenanthrene-2,7-diamine?
The InChIKey is ZZXXOYBWMHHBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H52N2.2C50H48N2O2.C50H44N2/c1-49(2)33-51(5,6)47-31-41(23-27-45(47)49)53(37-15-11-9-12-16-37)39-21-25-43-35(29-39)19-20-36-30-40(22-26-44(36)43)54(38-17-13-10-14-18-38)42-24-28-46-48(32-42)52(7,8)34-50(46,3)4;1-47(2)43-31-39(23-27-45(43)53-49(47,5)6)51(35-15-11-9-12-16-35)37-21-25-41-33(29-37)19-20-34-30-38(22-26-42(34)41)52(36-17-13-10-14-18-36)40-24-28-46-44(32-40)48(3,4)50(7,8)54-46;1-47(2)43-27-23-39(31-45(43)49(5,6)53-47)51(35-15-11-9-12-16-35)37-21-25-41-33(29-37)19-20-34-30-38(22-26-42(34)41)52(36-17-13-10-14-18-36)40-24-28-44-46(32-40)50(7,8)54-48(44,3)4;1-3-7-39(8-4-1)51(43-23-25-45-33-11-15-35(16-12-33)49(45)31-43)41-21-27-47-37(29-41)19-20-38-30-42(22-28-48(38)47)52(40-9-5-2-6-10-40)44-24-26-46-34-13-17-36(18-14-34)50(46)32-44/h9-32H,33-34H2,1-8H3;2*9-32H,1-8H3;1-10,19-36H,11-18H2.
What are the key properties of 2-N,7-N-diphenyl-2-N,7-N-bis(1,1,3,3-tetramethyl-2-benzofuran-5-yl)phenanthrene-2,7-diamine;2-N,7-N-diphenyl-2-N,7-N-bis(2,2,3,3-tetramethyl-1-benzofuran-5-yl)phenanthrene-2,7-diamine;2-N,7-N-diphenyl-2-N,7-N-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)phenanthrene-2,7-diamine;2-N,7-N-diphenyl-2-N,7-N-bis(4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)phenanthrene-2,7-diamine?
2-N,7-N-diphenyl-2-N,7-N-bis(1,1,3,3-tetramethyl-2-benzofuran-5-yl)phenanthrene-2,7-diamine;2-N,7-N-diphenyl-2-N,7-N-bis(2,2,3,3-tetramethyl-1-benzofuran-5-yl)phenanthrene-2,7-diamine;2-N,7-N-diphenyl-2-N,7-N-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)phenanthrene-2,7-diamine;2-N,7-N-diphenyl-2-N,7-N-bis(4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)phenanthrene-2,7-diamine has a molecular weight of 2795.81 g/mol, XLogP of 57.06, 24 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,7-N-diphenyl-2-N,7-N-bis(1,1,3,3-tetramethyl-2-benzofuran-5-yl)phenanthrene-2,7-diamine;2-N,7-N-diphenyl-2-N,7-N-bis(2,2,3,3-tetramethyl-1-benzofuran-5-yl)phenanthrene-2,7-diamine;2-N,7-N-diphenyl-2-N,7-N-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)phenanthrene-2,7-diamine;2-N,7-N-diphenyl-2-N,7-N-bis(4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)phenanthrene-2,7-diamine is sourced from PubChem (CID 162266184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).