2-N,2-N-di(dibenzofuran-3-yl)-9,9-dimethyl-7-N-phenanthren-9-yl-7-N-phenylfluorene-2,7-diamine;2-N,2-N-di(dibenzofuran-2-yl)-9,9-dimethyl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine;2-N,2-N-di(dibenzofuran-4-yl)-9,9-dimethyl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine

C185H128N6O6 — CID 158392246

IUPAC2-N,2-N-di(dibenzofuran-3-yl)-9,9-dimethyl-7-N-phenanthren-9-yl-7-N-phenylfluorene-2,7-diamine;2-N,2-N-di(dibenzofuran-2-yl)-9,9-dimethyl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine;2-N,2-N-di(dibenzofuran-4-yl)-9,9-dimethyl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine
SMILESCC1(C)c2cc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)oc3ccccc34)ccc2-c2ccc(N(c3ccccc3)c3cc4ccccc4c4ccccc34)cc21.CC1(C)c2cc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)ccc2-c2ccc(N(c3ccc4oc5ccccc5c4c3)c3ccc4oc5ccccc5c4c3)cc21.CC1(C)c2cc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)ccc2-c2ccc(N(c3cccc4c3oc3ccccc34)c3cccc4c3oc3ccccc34)cc21
InChIInChI=1S/2C63H44N2O2.C59H40N2O2/c1-63(2)55-39-47(64(45-17-7-4-8-18-45)46-33-31-44(32-34-46)43-29-27-42(28-30-43)41-15-5-3-6-16-41)35-37-49(55)50-38-36-48(40-56(50)63)65(57-23-13-21-53-51-19-9-11-25-59(51)66-61(53)57)58-24-14-22-54-52-20-10-12-26-60(52)67-62(54)58;1-63(2)57-39-49(64(45-15-7-4-8-16-45)46-27-25-44(26-28-46)43-23-21-42(22-24-43)41-13-5-3-6-14-41)29-33-51(57)52-34-30-50(40-58(52)63)65(47-31-35-61-55(37-47)53-17-9-11-19-59(53)66-61)48-32-36-62-56(38-48)54-18-10-12-20-60(54)67-62;1-59(2)52-33-39(60(41-26-30-50-48-20-10-12-22-55(48)62-57(50)35-41)42-27-31-51-49-21-11-13-23-56(49)63-58(51)36-42)24-28-45(52)46-29-25-40(34-53(46)59)61(38-15-4-3-5-16-38)54-32-37-14-6-7-17-43(37)44-18-8-9-19-47(44)54/h2*3-40H,1-2H3;3-36H,1-2H3
InChIKeyGXCJJJWHFFKWIQ-UHFFFAOYSA-N
MW2531.09 g/mol
LogP53.17
Rot. Bonds22

About 2-N,2-N-di(dibenzofuran-3-yl)-9,9-dimethyl-7-N-phenanthren-9-yl-7-N-phenylfluorene-2,7-diamine;2-N,2-N-di(dibenzofuran-2-yl)-9,9-dimethyl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine;2-N,2-N-di(dibenzofuran-4-yl)-9,9-dimethyl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine

2-N,2-N-di(dibenzofuran-3-yl)-9,9-dimethyl-7-N-phenanthren-9-yl-7-N-phenylfluorene-2,7-diamine;2-N,2-N-di(dibenzofuran-2-yl)-9,9-dimethyl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine;2-N,2-N-di(dibenzofuran-4-yl)-9,9-dimethyl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine (PubChem CID 158392246) has the molecular formula C185H128N6O6 and a molecular weight of 2531.09 g/mol. Its IUPAC name is 2-N,2-N-di(dibenzofuran-3-yl)-9,9-dimethyl-7-N-phenanthren-9-yl-7-N-phenylfluorene-2,7-diamine;2-N,2-N-di(dibenzofuran-2-yl)-9,9-dimethyl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine;2-N,2-N-di(dibenzofuran-4-yl)-9,9-dimethyl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine.

Molecular Properties

Compound Name2-N,2-N-di(dibenzofuran-3-yl)-9,9-dimethyl-7-N-phenanthren-9-yl-7-N-phenylfluorene-2,7-diamine;2-N,2-N-di(dibenzofuran-2-yl)-9,9-dimethyl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine;2-N,2-N-di(dibenzofuran-4-yl)-9,9-dimethyl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine
PubChem CID158392246
Molecular FormulaC185H128N6O6
Molecular Weight2531.09 g/mol
Exact Mass2528.99
IUPAC Name2-N,2-N-di(dibenzofuran-3-yl)-9,9-dimethyl-7-N-phenanthren-9-yl-7-N-phenylfluorene-2,7-diamine;2-N,2-N-di(dibenzofuran-2-yl)-9,9-dimethyl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine;2-N,2-N-di(dibenzofuran-4-yl)-9,9-dimethyl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine
SMILESCC1(C)c2cc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)oc3ccccc34)ccc2-c2ccc(N(c3ccccc3)c3cc4ccccc4c4ccccc34)cc21.CC1(C)c2cc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)ccc2-c2ccc(N(c3ccc4oc5ccccc5c4c3)c3ccc4oc5ccccc5c4c3)cc21.CC1(C)c2cc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)ccc2-c2ccc(N(c3cccc4c3oc3ccccc34)c3cccc4c3oc3ccccc34)cc21
InChIInChI=1S/2C63H44N2O2.C59H40N2O2/c1-63(2)55-39-47(64(45-17-7-4-8-18-45)46-33-31-44(32-34-46)43-29-27-42(28-30-43)41-15-5-3-6-16-41)35-37-49(55)50-38-36-48(40-56(50)63)65(57-23-13-21-53-51-19-9-11-25-59(51)66-61(53)57)58-24-14-22-54-52-20-10-12-26-60(52)67-62(54)58;1-63(2)57-39-49(64(45-15-7-4-8-16-45)46-27-25-44(26-28-46)43-23-21-42(22-24-43)41-13-5-3-6-14-41)29-33-51(57)52-34-30-50(40-58(52)63)65(47-31-35-61-55(37-47)53-17-9-11-19-59(53)66-61)48-32-36-62-56(38-48)54-18-10-12-20-60(54)67-62;1-59(2)52-33-39(60(41-26-30-50-48-20-10-12-22-55(48)62-57(50)35-41)42-27-31-51-49-21-11-13-23-56(49)63-58(51)36-42)24-28-45(52)46-29-25-40(34-53(46)59)61(38-15-4-3-5-16-38)54-32-37-14-6-7-17-43(37)44-18-8-9-19-47(44)54/h2*3-40H,1-2H3;3-36H,1-2H3
InChIKeyGXCJJJWHFFKWIQ-UHFFFAOYSA-N
XLogP53.17
TPSA98.28 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds22
Heavy Atoms197
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002531.09
LogP ≤ 553.17
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,2-N-di(dibenzofuran-3-yl)-9,9-dimethyl-7-N-phenanthren-9-yl-7-N-phenylfluorene-2,7-diamine;2-N,2-N-di(dibenzofuran-2-yl)-9,9-dimethyl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine;2-N,2-N-di(dibenzofuran-4-yl)-9,9-dimethyl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine with MolForge

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Related Compounds

N-[4-[4-(N-dibenzofuran-2-ylanilino)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine;2-N-dibenzofuran-2-yl-9,9-dimethyl-2-N,7-N-diphenyl-7-N-(9-phenylcarbazol-3-yl)fluorene-2,7-diamine;N-[4-[4-[4-[dibenzofuran-3-yl(phenanthren-9-yl)amino]phenyl]phenyl]phenyl]-N-phenanthren-9-yldibenzofuran-3-amine;N-[4-[4-[4-[dibenzofuran-4-yl(phenanthren-9-yl)amino]phenyl]phenyl]phenyl]-N-phenanthren-9-yldibenzofuran-4-amine
CID 158078970
N-[4-[4-[dibenzofuran-2-yl(phenanthren-9-yl)amino]phenyl]phenyl]-N-phenanthren-9-yldibenzofuran-2-amine;1-N,3-N-di(dibenzofuran-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,4-N-di(dibenzofuran-3-yl)-1-N,4-N-diphenylbenzene-1,4-diamine;1-N,4-N-di(dibenzofuran-4-yl)-1-N,4-N-diphenylbenzene-1,4-diamine;N-phenanthren-9-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-2-amine
CID 157328042
2-N,2-N-di(dibenzofuran-3-yl)-9,9-dimethyl-7-N-phenanthren-9-yl-7-N-phenylfluorene-2,7-diamine
CID 89295879
6-N,18-N-bis(9,9-dimethylfluoren-2-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(2-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-2-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(phenanthren-9-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine
CID 159858107
10-N,14-N-di(dibenzofuran-2-yl)-5-[4-[[19-[4-[dibenzofuran-4-yl-[14-(N-dibenzofuran-4-ylanilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl]amino]phenyl]-14-(N-(9,9-dimethylfluoren-2-yl)anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl]-(9,9-dimethylfluoren-2-yl)amino]phenyl]-10-N,14-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-10,14-diamine
CID 155082738
3-N-dibenzofuran-4-yl-10-N,10-N-diphenyl-3-N-(4-phenylphenyl)phenanthrene-3,10-diamine
CID 170283931
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-(9,9-dimethyl-7-phenylfluoren-2-yl)phenanthren-9-amine
CID 88534204
6-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-10-yl)-N,N-bis(4-phenylphenyl)naphthalen-2-amine;4-N-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-10-yl)phenyl]-4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenylbenzene-1,4-diamine;N-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-10-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)phenanthren-2-amine;4-N-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-10-yl)phenyl]-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine;N-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-10-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine;N-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-10-yl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 161223475
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-amine;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]triphenylen-2-amine;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 161070443
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-[4-[4-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]phenanthren-9-amine
CID 164843697
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]triphenylen-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 160715324
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yldibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyldibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 157179912

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-di(dibenzofuran-3-yl)-9,9-dimethyl-7-N-phenanthren-9-yl-7-N-phenylfluorene-2,7-diamine;2-N,2-N-di(dibenzofuran-2-yl)-9,9-dimethyl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine;2-N,2-N-di(dibenzofuran-4-yl)-9,9-dimethyl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine?
The IUPAC name of 2-N,2-N-di(dibenzofuran-3-yl)-9,9-dimethyl-7-N-phenanthren-9-yl-7-N-phenylfluorene-2,7-diamine;2-N,2-N-di(dibenzofuran-2-yl)-9,9-dimethyl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine;2-N,2-N-di(dibenzofuran-4-yl)-9,9-dimethyl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine (CID 158392246) is 2-N,2-N-di(dibenzofuran-3-yl)-9,9-dimethyl-7-N-phenanthren-9-yl-7-N-phenylfluorene-2,7-diamine;2-N,2-N-di(dibenzofuran-2-yl)-9,9-dimethyl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine;2-N,2-N-di(dibenzofuran-4-yl)-9,9-dimethyl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine.
What is the SMILES notation for 2-N,2-N-di(dibenzofuran-3-yl)-9,9-dimethyl-7-N-phenanthren-9-yl-7-N-phenylfluorene-2,7-diamine;2-N,2-N-di(dibenzofuran-2-yl)-9,9-dimethyl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine;2-N,2-N-di(dibenzofuran-4-yl)-9,9-dimethyl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine?
The canonical SMILES for 2-N,2-N-di(dibenzofuran-3-yl)-9,9-dimethyl-7-N-phenanthren-9-yl-7-N-phenylfluorene-2,7-diamine;2-N,2-N-di(dibenzofuran-2-yl)-9,9-dimethyl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine;2-N,2-N-di(dibenzofuran-4-yl)-9,9-dimethyl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine is CC1(C)c2cc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)oc3ccccc34)ccc2-c2ccc(N(c3ccccc3)c3cc4ccccc4c4ccccc34)cc21.CC1(C)c2cc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)ccc2-c2ccc(N(c3ccc4oc5ccccc5c4c3)c3ccc4oc5ccccc5c4c3)cc21.CC1(C)c2cc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)ccc2-c2ccc(N(c3cccc4c3oc3ccccc34)c3cccc4c3oc3ccccc34)cc21.
What is the InChIKey of 2-N,2-N-di(dibenzofuran-3-yl)-9,9-dimethyl-7-N-phenanthren-9-yl-7-N-phenylfluorene-2,7-diamine;2-N,2-N-di(dibenzofuran-2-yl)-9,9-dimethyl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine;2-N,2-N-di(dibenzofuran-4-yl)-9,9-dimethyl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine?
The InChIKey is GXCJJJWHFFKWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C63H44N2O2.C59H40N2O2/c1-63(2)55-39-47(64(45-17-7-4-8-18-45)46-33-31-44(32-34-46)43-29-27-42(28-30-43)41-15-5-3-6-16-41)35-37-49(55)50-38-36-48(40-56(50)63)65(57-23-13-21-53-51-19-9-11-25-59(51)66-61(53)57)58-24-14-22-54-52-20-10-12-26-60(52)67-62(54)58;1-63(2)57-39-49(64(45-15-7-4-8-16-45)46-27-25-44(26-28-46)43-23-21-42(22-24-43)41-13-5-3-6-14-41)29-33-51(57)52-34-30-50(40-58(52)63)65(47-31-35-61-55(37-47)53-17-9-11-19-59(53)66-61)48-32-36-62-56(38-48)54-18-10-12-20-60(54)67-62;1-59(2)52-33-39(60(41-26-30-50-48-20-10-12-22-55(48)62-57(50)35-41)42-27-31-51-49-21-11-13-23-56(49)63-58(51)36-42)24-28-45(52)46-29-25-40(34-53(46)59)61(38-15-4-3-5-16-38)54-32-37-14-6-7-17-43(37)44-18-8-9-19-47(44)54/h2*3-40H,1-2H3;3-36H,1-2H3.
What are the key properties of 2-N,2-N-di(dibenzofuran-3-yl)-9,9-dimethyl-7-N-phenanthren-9-yl-7-N-phenylfluorene-2,7-diamine;2-N,2-N-di(dibenzofuran-2-yl)-9,9-dimethyl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine;2-N,2-N-di(dibenzofuran-4-yl)-9,9-dimethyl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine?
2-N,2-N-di(dibenzofuran-3-yl)-9,9-dimethyl-7-N-phenanthren-9-yl-7-N-phenylfluorene-2,7-diamine;2-N,2-N-di(dibenzofuran-2-yl)-9,9-dimethyl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine;2-N,2-N-di(dibenzofuran-4-yl)-9,9-dimethyl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine has a molecular weight of 2531.09 g/mol, XLogP of 53.17, 22 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-di(dibenzofuran-3-yl)-9,9-dimethyl-7-N-phenanthren-9-yl-7-N-phenylfluorene-2,7-diamine;2-N,2-N-di(dibenzofuran-2-yl)-9,9-dimethyl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine;2-N,2-N-di(dibenzofuran-4-yl)-9,9-dimethyl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine is sourced from PubChem (CID 158392246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).