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

C91H104N2 — CID 88862267

IUPAC4-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
SMILESCCCCCCCCc1ccc(C2(c3ccc(CCCCCCCC)cc3)c3cc(C)ccc3-c3ccc(-c4ccc(N(c5ccc(-c6ccc(N(c7ccc(C)cc7)c7c(C)cc(C(C)(C)C)cc7C)cc6)cc5)c5c(C)cc(C(C)(C)C)cc5C)cc4)cc32)cc1
InChIInChI=1S/C91H104N2/c1-15-17-19-21-23-25-27-69-32-43-75(44-33-69)91(76-45-34-70(35-46-76)28-26-24-22-20-18-16-2)85-57-64(4)31-55-83(85)84-56-42-74(62-86(84)91)73-40-53-82(54-41-73)93(88-67(7)60-78(61-68(88)8)90(12,13)14)81-51-38-72(39-52-81)71-36-49-80(50-37-71)92(79-47-29-63(3)30-48-79)87-65(5)58-77(59-66(87)6)89(9,10)11/h29-62H,15-28H2,1-14H3
InChIKeyYEMSJGWBZPBHBA-UHFFFAOYSA-N
MW1225.85 g/mol
LogP26.57
Rot. Bonds24

About 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

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 (PubChem CID 88862267) has the molecular formula C91H104N2 and a molecular weight of 1225.85 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID88862267
Molecular FormulaC91H104N2
Molecular Weight1225.85 g/mol
Exact Mass1224.82
IUPAC Name4-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
SMILESCCCCCCCCc1ccc(C2(c3ccc(CCCCCCCC)cc3)c3cc(C)ccc3-c3ccc(-c4ccc(N(c5ccc(-c6ccc(N(c7ccc(C)cc7)c7c(C)cc(C(C)(C)C)cc7C)cc6)cc5)c5c(C)cc(C(C)(C)C)cc5C)cc4)cc32)cc1
InChIInChI=1S/C91H104N2/c1-15-17-19-21-23-25-27-69-32-43-75(44-33-69)91(76-45-34-70(35-46-76)28-26-24-22-20-18-16-2)85-57-64(4)31-55-83(85)84-56-42-74(62-86(84)91)73-40-53-82(54-41-73)93(88-67(7)60-78(61-68(88)8)90(12,13)14)81-51-38-72(39-52-81)71-36-49-80(50-37-71)92(79-47-29-63(3)30-48-79)87-65(5)58-77(59-66(87)6)89(9,10)11/h29-62H,15-28H2,1-14H3
InChIKeyYEMSJGWBZPBHBA-UHFFFAOYSA-N
XLogP26.57
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001225.85
LogP ≤ 526.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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-(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
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
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
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
3-(4-tert-butylphenyl)-10-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-7-[7,9,9-tris(4-hexylphenyl)fluoren-2-yl]phenoxazine
CID 58556195
2,4-bis(4-tert-butylphenyl)-6-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-1,3,5-triazine
CID 58412099
2-N,7-N-bis(4-tert-butyl-2,6-dimethylphenyl)-9,9-bis(4-hexylphenyl)-2-N,7-N-bis(4-methylphenyl)fluorene-2,7-diamine;1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;N-(4-butan-2-ylphenyl)-4-methyl-N-(4-methylphenyl)aniline;4-tert-butyl-N-[4-[4-(N-(4-tert-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline;9-(3,5-dihexylphenyl)-9-hexyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine
CID 158844302
2,8-dimethyl-12,12-dioctyl-6,6-bis(4-octylphenyl)indeno[1,2-b]fluorene;1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine
CID 91342827
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
1,4-dihexyl-2,5-dimethylbenzene;2,7-dimethyl-9,9-bis(4-octylphenyl)fluorene
CID 159632047

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCCCCCc1ccc(C2(c3ccc(CCCCCCCC)cc3)c3cc(C)ccc3-c3ccc(-c4ccc(N(c5ccc(-c6ccc(N(c7ccc(C)cc7)c7c(C)cc(C(C)(C)C)cc7C)cc6)cc5)c5c(C)cc(C(C)(C)C)cc5C)cc4)cc32)cc1.
What is the InChIKey of 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?
The InChIKey is YEMSJGWBZPBHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C91H104N2/c1-15-17-19-21-23-25-27-69-32-43-75(44-33-69)91(76-45-34-70(35-46-76)28-26-24-22-20-18-16-2)85-57-64(4)31-55-83(85)84-56-42-74(62-86(84)91)73-40-53-82(54-41-73)93(88-67(7)60-78(61-68(88)8)90(12,13)14)81-51-38-72(39-52-81)71-36-49-80(50-37-71)92(79-47-29-63(3)30-48-79)87-65(5)58-77(59-66(87)6)89(9,10)11/h29-62H,15-28H2,1-14H3.
What are the key properties of 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?
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 has a molecular weight of 1225.85 g/mol, XLogP of 26.57, 24 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 88862267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).