1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-4-N-(4-tert-butylphenyl)-1-N-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]benzene-1,4-diamine

C68H74N2 — CID 59480532

IUPAC1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-4-N-(4-tert-butylphenyl)-1-N-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]benzene-1,4-diamine
SMILESCc1ccc(C2(c3ccc(N(c4ccc(N(c5ccc(C(C)(C)C)cc5)c5c(C)cc(C(C)(C)C)cc5C)cc4)c4c(C)cc(C(C)(C)C)cc4C)cc3)c3cc(C)ccc3-c3ccc(C)cc32)cc1
InChIInChI=1S/C68H74N2/c1-43-17-21-51(22-18-43)68(61-37-44(2)19-35-59(61)60-36-20-45(3)38-62(60)68)52-25-29-56(30-26-52)70(64-48(6)41-54(42-49(64)7)67(14,15)16)58-33-31-57(32-34-58)69(55-27-23-50(24-28-55)65(8,9)10)63-46(4)39-53(40-47(63)5)66(11,12)13/h17-42H,1-16H3
InChIKeyLSODYWDIWAGDEJ-UHFFFAOYSA-N
MW919.35 g/mol
LogP19.04
Rot. Bonds8

About 1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-4-N-(4-tert-butylphenyl)-1-N-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]benzene-1,4-diamine

1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-4-N-(4-tert-butylphenyl)-1-N-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]benzene-1,4-diamine (PubChem CID 59480532) has the molecular formula C68H74N2 and a molecular weight of 919.35 g/mol. Its IUPAC name is 1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-4-N-(4-tert-butylphenyl)-1-N-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]benzene-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-4-N-(4-tert-butylphenyl)-1-N-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]benzene-1,4-diamine
PubChem CID59480532
Molecular FormulaC68H74N2
Molecular Weight919.35 g/mol
Exact Mass918.59
IUPAC Name1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-4-N-(4-tert-butylphenyl)-1-N-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]benzene-1,4-diamine
SMILESCc1ccc(C2(c3ccc(N(c4ccc(N(c5ccc(C(C)(C)C)cc5)c5c(C)cc(C(C)(C)C)cc5C)cc4)c4c(C)cc(C(C)(C)C)cc4C)cc3)c3cc(C)ccc3-c3ccc(C)cc32)cc1
InChIInChI=1S/C68H74N2/c1-43-17-21-51(22-18-43)68(61-37-44(2)19-35-59(61)60-36-20-45(3)38-62(60)68)52-25-29-56(30-26-52)70(64-48(6)41-54(42-49(64)7)67(14,15)16)58-33-31-57(32-34-58)69(55-27-23-50(24-28-55)65(8,9)10)63-46(4)39-53(40-47(63)5)66(11,12)13/h17-42H,1-16H3
InChIKeyLSODYWDIWAGDEJ-UHFFFAOYSA-N
XLogP19.04
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500919.35
LogP ≤ 519.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N-[4-(4-tert-butylphenyl)phenyl]-4-N-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]benzene-1,4-diamine
CID 59480578
4-tert-butyl-N-[4-[4-[4-[4-(4-tert-butyl-N-(4-tert-butyl-2,6-dimethylphenyl)anilino)phenyl]-N-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]anilino]phenyl]phenyl]-N-(4-tert-butylphenyl)-2,6-dimethylaniline;N-[4-[4-[4-[4-(4-tert-butyl-N-naphthalen-2-ylanilino)phenyl]-N-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]anilino]phenyl]phenyl]-N-(4-tert-butylphenyl)naphthalen-2-amine
CID 159675939
9-(4-tert-butylphenyl)-2,7-dimethyl-9-(4-methylphenyl)fluorene
CID 58371098
4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-tert-butyl-2,6-dimethylphenyl)anilino)phenyl]phenyl]-N-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-2,6-dimethylaniline
CID 140553755
4-tert-butyl-N-[4-[4-[4-[4-(4-tert-butyl-N-(4-tert-butyl-2,6-dimethylphenyl)anilino)phenyl]-N-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]anilino]phenyl]phenyl]-N-(4-tert-butylphenyl)-2,6-dimethylaniline
CID 140553747
4-tert-butyl-N-[4-[4-[N-(4-tert-butyl-2,6-dimethylphenyl)-4-[7-methyl-9,9-bis(4-octylphenyl)fluoren-2-yl]anilino]phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline
CID 88862267
4-N-(4-tert-butyl-2,6-dimethylphenyl)-1-N-(4-tert-butyl-2-methylphenyl)-1-N-(4-tert-butylphenyl)-4-N-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]benzene-1,4-diamine
CID 140553757
4-tert-butyl-2,6-dimethyl-N-(4-methylphenyl)-N-phenylaniline;2,7,9,9-tetramethylfluorene
CID 91449585
4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-N-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]phenyl]-N-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]aniline;2,7-dimethyl-9,9-dioctylfluorene
CID 157085258
4-(4-tert-butylphenyl)-N-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-N-[4-[7,9,9-tris(4-hexylphenyl)fluoren-2-yl]phenyl]aniline
CID 58556150
N-(4-tert-butylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine;N-(4-fluorophenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine;N-(4-methylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 162199344
N-[4-[2,7-dimethyl-9-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]-4-methyl-N-phenylaniline;yttrium(3+)
CID 20779703

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-4-N-(4-tert-butylphenyl)-1-N-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]benzene-1,4-diamine?
The IUPAC name of 1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-4-N-(4-tert-butylphenyl)-1-N-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]benzene-1,4-diamine (CID 59480532) is 1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-4-N-(4-tert-butylphenyl)-1-N-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]benzene-1,4-diamine.
What is the SMILES notation for 1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-4-N-(4-tert-butylphenyl)-1-N-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]benzene-1,4-diamine?
The canonical SMILES for 1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-4-N-(4-tert-butylphenyl)-1-N-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]benzene-1,4-diamine is Cc1ccc(C2(c3ccc(N(c4ccc(N(c5ccc(C(C)(C)C)cc5)c5c(C)cc(C(C)(C)C)cc5C)cc4)c4c(C)cc(C(C)(C)C)cc4C)cc3)c3cc(C)ccc3-c3ccc(C)cc32)cc1.
What is the InChIKey of 1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-4-N-(4-tert-butylphenyl)-1-N-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]benzene-1,4-diamine?
The InChIKey is LSODYWDIWAGDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H74N2/c1-43-17-21-51(22-18-43)68(61-37-44(2)19-35-59(61)60-36-20-45(3)38-62(60)68)52-25-29-56(30-26-52)70(64-48(6)41-54(42-49(64)7)67(14,15)16)58-33-31-57(32-34-58)69(55-27-23-50(24-28-55)65(8,9)10)63-46(4)39-53(40-47(63)5)66(11,12)13/h17-42H,1-16H3.
What are the key properties of 1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-4-N-(4-tert-butylphenyl)-1-N-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]benzene-1,4-diamine?
1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-4-N-(4-tert-butylphenyl)-1-N-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]benzene-1,4-diamine has a molecular weight of 919.35 g/mol, XLogP of 19.04, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-4-N-(4-tert-butylphenyl)-1-N-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]benzene-1,4-diamine is sourced from PubChem (CID 59480532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).