N-[4-[5-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[7,7-dimethyl-5-[4-(6,7,8,9-tetradeuteriodibenzofuran-1-yl)phenyl]fluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N,4-diphenylaniline

C140H109N3O3 — CID 158087359

IUPACN-[4-[5-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[7,7-dimethyl-5-[4-(6,7,8,9-tetradeuteriodibenzofuran-1-yl)phenyl]fluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N,4-diphenylaniline
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4oc4c6c(cc(-c7ccc8c(c7)C7(C)CCCCC7(C)N8c7ccccc7)c45)C(C)(C)c4ccccc4-6)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.[2H]c1c([2H])c([2H])c2c(oc3cccc(-c4ccc(-c5cc6c(c7oc8c(-c9ccc(N(c%10ccccc%10)c%10ccc(-c%11ccccc%11)cc%10)cc9)cccc8c57)-c5ccccc5C6(C)C)cc4)c32)c1[2H]
InChIInChI=1S/C77H66N2O.C63H43NO2/c1-73(2)61-28-15-12-23-54(61)56-38-36-51(44-64(56)73)78(52-37-39-57-55-24-13-16-29-62(55)74(3,4)65(57)45-52)49-34-31-47(32-35-49)53-26-20-27-59-69-60(46-67-70(72(69)80-71(53)59)58-25-14-17-30-63(58)75(67,5)6)48-33-40-68-66(43-48)76(7)41-18-19-42-77(76,8)79(68)50-21-10-9-11-22-50;1-63(2)54-24-11-9-19-50(54)60-55(63)39-53(44-29-27-42(28-30-44)48-21-14-26-57-58(48)51-20-10-12-25-56(51)65-57)59-52-23-13-22-49(61(52)66-62(59)60)43-33-37-47(38-34-43)64(45-17-7-4-8-18-45)46-35-31-41(32-36-46)40-15-5-3-6-16-40/h9-17,20-40,43-46H,18-19,41-42H2,1-8H3;3-39H,1-2H3/i;10D,12D,20D,25D
InChIKeyFNRFMCAVVJAYNB-RNJSMMQASA-N
MW1885.45 g/mol
LogP38.98
Rot. Bonds13

About N-[4-[5-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[7,7-dimethyl-5-[4-(6,7,8,9-tetradeuteriodibenzofuran-1-yl)phenyl]fluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N,4-diphenylaniline

N-[4-[5-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[7,7-dimethyl-5-[4-(6,7,8,9-tetradeuteriodibenzofuran-1-yl)phenyl]fluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N,4-diphenylaniline (PubChem CID 158087359) has the molecular formula C140H109N3O3 and a molecular weight of 1885.45 g/mol. Its IUPAC name is N-[4-[5-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[7,7-dimethyl-5-[4-(6,7,8,9-tetradeuteriodibenzofuran-1-yl)phenyl]fluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N,4-diphenylaniline.

Molecular Properties

Compound NameN-[4-[5-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[7,7-dimethyl-5-[4-(6,7,8,9-tetradeuteriodibenzofuran-1-yl)phenyl]fluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N,4-diphenylaniline
PubChem CID158087359
Molecular FormulaC140H109N3O3
Molecular Weight1885.45 g/mol
Exact Mass1883.87
IUPAC NameN-[4-[5-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[7,7-dimethyl-5-[4-(6,7,8,9-tetradeuteriodibenzofuran-1-yl)phenyl]fluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N,4-diphenylaniline
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4oc4c6c(cc(-c7ccc8c(c7)C7(C)CCCCC7(C)N8c7ccccc7)c45)C(C)(C)c4ccccc4-6)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.[2H]c1c([2H])c([2H])c2c(oc3cccc(-c4ccc(-c5cc6c(c7oc8c(-c9ccc(N(c%10ccccc%10)c%10ccc(-c%11ccccc%11)cc%10)cc9)cccc8c57)-c5ccccc5C6(C)C)cc4)c32)c1[2H]
InChIInChI=1S/C77H66N2O.C63H43NO2/c1-73(2)61-28-15-12-23-54(61)56-38-36-51(44-64(56)73)78(52-37-39-57-55-24-13-16-29-62(55)74(3,4)65(57)45-52)49-34-31-47(32-35-49)53-26-20-27-59-69-60(46-67-70(72(69)80-71(53)59)58-25-14-17-30-63(58)75(67,5)6)48-33-40-68-66(43-48)76(7)41-18-19-42-77(76,8)79(68)50-21-10-9-11-22-50;1-63(2)54-24-11-9-19-50(54)60-55(63)39-53(44-29-27-42(28-30-44)48-21-14-26-57-58(48)51-20-10-12-25-56(51)65-57)59-52-23-13-22-49(61(52)66-62(59)60)43-33-37-47(38-34-43)64(45-17-7-4-8-18-45)46-35-31-41(32-36-46)40-15-5-3-6-16-40/h9-17,20-40,43-46H,18-19,41-42H2,1-8H3;3-39H,1-2H3/i;10D,12D,20D,25D
InChIKeyFNRFMCAVVJAYNB-RNJSMMQASA-N
XLogP38.98
TPSA49.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms146
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001885.45
LogP ≤ 538.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[4-[5-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[7,7-dimethyl-5-[4-(6,7,8,9-tetradeuteriodibenzofuran-1-yl)phenyl]fluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N,4-diphenylaniline with MolForge

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Related Compounds

N-[4-[5-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-5-naphthalen-1-ylfluoreno[4,3-b][1]benzofuran-1-amine;N-[4-[7,7-dimethyl-5-(4-naphthalen-1-ylphenyl)fluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N,4-diphenylaniline
CID 159910131
8-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine
CID 88534252
N-[3-(7,10-diphenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 167253257
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 67964252
N-(7,7-dimethyl-5-phenylfluoreno[5,6-b][1]benzofuran-9-yl)-7,7-dimethyl-5-phenyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine
CID 155088779
7-dibenzofuran-2-yl-N-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)-N-[4-[4-[4-[4-[7-[N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-4-(4-phenylphenyl)anilino]-9,9-dimethylfluoren-2-yl]dibenzofuran-1-yl]phenyl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 163811111
N-[4-(7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-(7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 161043494
N,N-bis(4-tert-butylphenyl)-4-(7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran-1-yl)aniline
CID 156556107
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 67964212
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 67964106
7-dibenzofuran-2-yl-N-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-phenylfluoren-2-amine;7-dibenzofuran-2-yl-N-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;7-dibenzofuran-4-yl-N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 159734238
N-(9,9-dimethylfluoren-4-yl)-N-[3-(6-phenyldibenzofuran-4-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 139568275

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[7,7-dimethyl-5-[4-(6,7,8,9-tetradeuteriodibenzofuran-1-yl)phenyl]fluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N,4-diphenylaniline?
The IUPAC name of N-[4-[5-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[7,7-dimethyl-5-[4-(6,7,8,9-tetradeuteriodibenzofuran-1-yl)phenyl]fluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N,4-diphenylaniline (CID 158087359) is N-[4-[5-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[7,7-dimethyl-5-[4-(6,7,8,9-tetradeuteriodibenzofuran-1-yl)phenyl]fluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N,4-diphenylaniline.
What is the SMILES notation for N-[4-[5-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[7,7-dimethyl-5-[4-(6,7,8,9-tetradeuteriodibenzofuran-1-yl)phenyl]fluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N,4-diphenylaniline?
The canonical SMILES for N-[4-[5-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[7,7-dimethyl-5-[4-(6,7,8,9-tetradeuteriodibenzofuran-1-yl)phenyl]fluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N,4-diphenylaniline is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4oc4c6c(cc(-c7ccc8c(c7)C7(C)CCCCC7(C)N8c7ccccc7)c45)C(C)(C)c4ccccc4-6)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.[2H]c1c([2H])c([2H])c2c(oc3cccc(-c4ccc(-c5cc6c(c7oc8c(-c9ccc(N(c%10ccccc%10)c%10ccc(-c%11ccccc%11)cc%10)cc9)cccc8c57)-c5ccccc5C6(C)C)cc4)c32)c1[2H].
What is the InChIKey of N-[4-[5-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[7,7-dimethyl-5-[4-(6,7,8,9-tetradeuteriodibenzofuran-1-yl)phenyl]fluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N,4-diphenylaniline?
The InChIKey is FNRFMCAVVJAYNB-RNJSMMQASA-N. The full InChI is InChI=1S/C77H66N2O.C63H43NO2/c1-73(2)61-28-15-12-23-54(61)56-38-36-51(44-64(56)73)78(52-37-39-57-55-24-13-16-29-62(55)74(3,4)65(57)45-52)49-34-31-47(32-35-49)53-26-20-27-59-69-60(46-67-70(72(69)80-71(53)59)58-25-14-17-30-63(58)75(67,5)6)48-33-40-68-66(43-48)76(7)41-18-19-42-77(76,8)79(68)50-21-10-9-11-22-50;1-63(2)54-24-11-9-19-50(54)60-55(63)39-53(44-29-27-42(28-30-44)48-21-14-26-57-58(48)51-20-10-12-25-56(51)65-57)59-52-23-13-22-49(61(52)66-62(59)60)43-33-37-47(38-34-43)64(45-17-7-4-8-18-45)46-35-31-41(32-36-46)40-15-5-3-6-16-40/h9-17,20-40,43-46H,18-19,41-42H2,1-8H3;3-39H,1-2H3/i;10D,12D,20D,25D.
What are the key properties of N-[4-[5-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[7,7-dimethyl-5-[4-(6,7,8,9-tetradeuteriodibenzofuran-1-yl)phenyl]fluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N,4-diphenylaniline?
N-[4-[5-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[7,7-dimethyl-5-[4-(6,7,8,9-tetradeuteriodibenzofuran-1-yl)phenyl]fluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N,4-diphenylaniline has a molecular weight of 1885.45 g/mol, XLogP of 38.98, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[7,7-dimethyl-5-[4-(6,7,8,9-tetradeuteriodibenzofuran-1-yl)phenyl]fluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N,4-diphenylaniline is sourced from PubChem (CID 158087359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).