5-[7-[3,5-bis(4-methyl-N-(4-methylphenyl)anilino)phenyl]-9,9-dimethylfluoren-2-yl]-1-N,1-N,3-N,3-N-tetrakis(4-methylphenyl)benzene-1,3-diamine

C83H74N4 — CID 59510924

IUPAC5-[7-[3,5-bis(4-methyl-N-(4-methylphenyl)anilino)phenyl]-9,9-dimethylfluoren-2-yl]-1-N,1-N,3-N,3-N-tetrakis(4-methylphenyl)benzene-1,3-diamine
SMILESCc1ccc(N(c2ccc(C)cc2)c2cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cc(N(c6ccc(C)cc6)c6ccc(C)cc6)cc(N(c6ccc(C)cc6)c6ccc(C)cc6)c5)ccc3-4)cc(N(c3ccc(C)cc3)c3ccc(C)cc3)c2)cc1
InChIInChI=1S/C83H74N4/c1-55-11-29-67(30-12-55)84(68-31-13-56(2)14-32-68)75-47-65(48-76(53-75)85(69-33-15-57(3)16-34-69)70-35-17-58(4)18-36-70)63-27-45-79-80-46-28-64(52-82(80)83(9,10)81(79)51-63)66-49-77(86(71-37-19-59(5)20-38-71)72-39-21-60(6)22-40-72)54-78(50-66)87(73-41-23-61(7)24-42-73)74-43-25-62(8)26-44-74/h11-54H,1-10H3
InChIKeyHYCJYSCICIMGLI-UHFFFAOYSA-N
MW1127.53 g/mol
LogP23.67
Rot. Bonds14

About 5-[7-[3,5-bis(4-methyl-N-(4-methylphenyl)anilino)phenyl]-9,9-dimethylfluoren-2-yl]-1-N,1-N,3-N,3-N-tetrakis(4-methylphenyl)benzene-1,3-diamine

5-[7-[3,5-bis(4-methyl-N-(4-methylphenyl)anilino)phenyl]-9,9-dimethylfluoren-2-yl]-1-N,1-N,3-N,3-N-tetrakis(4-methylphenyl)benzene-1,3-diamine (PubChem CID 59510924) has the molecular formula C83H74N4 and a molecular weight of 1127.53 g/mol. Its IUPAC name is 5-[7-[3,5-bis(4-methyl-N-(4-methylphenyl)anilino)phenyl]-9,9-dimethylfluoren-2-yl]-1-N,1-N,3-N,3-N-tetrakis(4-methylphenyl)benzene-1,3-diamine.

Molecular Properties

Compound Name5-[7-[3,5-bis(4-methyl-N-(4-methylphenyl)anilino)phenyl]-9,9-dimethylfluoren-2-yl]-1-N,1-N,3-N,3-N-tetrakis(4-methylphenyl)benzene-1,3-diamine
PubChem CID59510924
Molecular FormulaC83H74N4
Molecular Weight1127.53 g/mol
Exact Mass1126.59
IUPAC Name5-[7-[3,5-bis(4-methyl-N-(4-methylphenyl)anilino)phenyl]-9,9-dimethylfluoren-2-yl]-1-N,1-N,3-N,3-N-tetrakis(4-methylphenyl)benzene-1,3-diamine
SMILESCc1ccc(N(c2ccc(C)cc2)c2cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cc(N(c6ccc(C)cc6)c6ccc(C)cc6)cc(N(c6ccc(C)cc6)c6ccc(C)cc6)c5)ccc3-4)cc(N(c3ccc(C)cc3)c3ccc(C)cc3)c2)cc1
InChIInChI=1S/C83H74N4/c1-55-11-29-67(30-12-55)84(68-31-13-56(2)14-32-68)75-47-65(48-76(53-75)85(69-33-15-57(3)16-34-69)70-35-17-58(4)18-36-70)63-27-45-79-80-46-28-64(52-82(80)83(9,10)81(79)51-63)66-49-77(86(71-37-19-59(5)20-38-71)72-39-21-60(6)22-40-72)54-78(50-66)87(73-41-23-61(7)24-42-73)74-43-25-62(8)26-44-74/h11-54H,1-10H3
InChIKeyHYCJYSCICIMGLI-UHFFFAOYSA-N
XLogP23.67
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001127.53
LogP ≤ 523.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[7-[3,5-bis(4-methyl-N-(4-methylphenyl)anilino)phenyl]-9,9-dimethylfluoren-2-yl]-1-N,1-N,3-N,3-N-tetrakis(4-methylphenyl)benzene-1,3-diamine with MolForge

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Related Compounds

3,5-bis(9,9-dimethylfluoren-2-yl)-N-(4-methylphenyl)-N-phenylaniline
CID 58389731
5-[7-[3,5-bis(N-(4-phenylphenyl)anilino)phenyl]-9,9-dimethylfluoren-2-yl]-1-N,3-N-diphenyl-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 59510953
N-[4-[9,9-dimethyl-7-[4-(4-methyl-N-[4-(3-phenylphenyl)phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 58939361
6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene-2,8-diamine
CID 59800971
N,N-bis(4-tert-butylphenyl)-3,5-bis(9,9-dimethylfluoren-2-yl)aniline
CID 58389668
9,9-dimethyl-7-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118428445
9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 11111910
9,9-dimethyl-7-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 131994094
5,16-bis(3,5-dimethylphenyl)-8,8,13,13-tetramethylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene
CID 59181920
3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N,N-bis(4-phenylphenyl)aniline
CID 58389701
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 59757697
9,9-dimethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 118146352

Frequently Asked Questions

What is the IUPAC name of 5-[7-[3,5-bis(4-methyl-N-(4-methylphenyl)anilino)phenyl]-9,9-dimethylfluoren-2-yl]-1-N,1-N,3-N,3-N-tetrakis(4-methylphenyl)benzene-1,3-diamine?
The IUPAC name of 5-[7-[3,5-bis(4-methyl-N-(4-methylphenyl)anilino)phenyl]-9,9-dimethylfluoren-2-yl]-1-N,1-N,3-N,3-N-tetrakis(4-methylphenyl)benzene-1,3-diamine (CID 59510924) is 5-[7-[3,5-bis(4-methyl-N-(4-methylphenyl)anilino)phenyl]-9,9-dimethylfluoren-2-yl]-1-N,1-N,3-N,3-N-tetrakis(4-methylphenyl)benzene-1,3-diamine.
What is the SMILES notation for 5-[7-[3,5-bis(4-methyl-N-(4-methylphenyl)anilino)phenyl]-9,9-dimethylfluoren-2-yl]-1-N,1-N,3-N,3-N-tetrakis(4-methylphenyl)benzene-1,3-diamine?
The canonical SMILES for 5-[7-[3,5-bis(4-methyl-N-(4-methylphenyl)anilino)phenyl]-9,9-dimethylfluoren-2-yl]-1-N,1-N,3-N,3-N-tetrakis(4-methylphenyl)benzene-1,3-diamine is Cc1ccc(N(c2ccc(C)cc2)c2cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cc(N(c6ccc(C)cc6)c6ccc(C)cc6)cc(N(c6ccc(C)cc6)c6ccc(C)cc6)c5)ccc3-4)cc(N(c3ccc(C)cc3)c3ccc(C)cc3)c2)cc1.
What is the InChIKey of 5-[7-[3,5-bis(4-methyl-N-(4-methylphenyl)anilino)phenyl]-9,9-dimethylfluoren-2-yl]-1-N,1-N,3-N,3-N-tetrakis(4-methylphenyl)benzene-1,3-diamine?
The InChIKey is HYCJYSCICIMGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H74N4/c1-55-11-29-67(30-12-55)84(68-31-13-56(2)14-32-68)75-47-65(48-76(53-75)85(69-33-15-57(3)16-34-69)70-35-17-58(4)18-36-70)63-27-45-79-80-46-28-64(52-82(80)83(9,10)81(79)51-63)66-49-77(86(71-37-19-59(5)20-38-71)72-39-21-60(6)22-40-72)54-78(50-66)87(73-41-23-61(7)24-42-73)74-43-25-62(8)26-44-74/h11-54H,1-10H3.
What are the key properties of 5-[7-[3,5-bis(4-methyl-N-(4-methylphenyl)anilino)phenyl]-9,9-dimethylfluoren-2-yl]-1-N,1-N,3-N,3-N-tetrakis(4-methylphenyl)benzene-1,3-diamine?
5-[7-[3,5-bis(4-methyl-N-(4-methylphenyl)anilino)phenyl]-9,9-dimethylfluoren-2-yl]-1-N,1-N,3-N,3-N-tetrakis(4-methylphenyl)benzene-1,3-diamine has a molecular weight of 1127.53 g/mol, XLogP of 23.67, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-[3,5-bis(4-methyl-N-(4-methylphenyl)anilino)phenyl]-9,9-dimethylfluoren-2-yl]-1-N,1-N,3-N,3-N-tetrakis(4-methylphenyl)benzene-1,3-diamine is sourced from PubChem (CID 59510924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).