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

C74H78N2 — CID 59480578

IUPAC1-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
SMILESCc1ccc(C2(c3ccc(N(c4ccc(N(c5ccc(-c6ccc(C(C)(C)C)cc6)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/C74H78N2/c1-47-17-25-57(26-18-47)74(67-41-48(2)19-39-65(67)66-40-20-49(3)42-68(66)74)58-29-33-62(34-30-58)76(70-52(6)45-60(46-53(70)7)73(14,15)16)64-37-35-63(36-38-64)75(69-50(4)43-59(44-51(69)5)72(11,12)13)61-31-23-55(24-32-61)54-21-27-56(28-22-54)71(8,9)10/h17-46H,1-16H3
InChIKeyLZUSJZGVTSVOGD-UHFFFAOYSA-N
MW995.45 g/mol
LogP20.71
Rot. Bonds9

About 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

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 (PubChem CID 59480578) has the molecular formula C74H78N2 and a molecular weight of 995.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID59480578
Molecular FormulaC74H78N2
Molecular Weight995.45 g/mol
Exact Mass994.62
IUPAC Name1-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
SMILESCc1ccc(C2(c3ccc(N(c4ccc(N(c5ccc(-c6ccc(C(C)(C)C)cc6)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/C74H78N2/c1-47-17-25-57(26-18-47)74(67-41-48(2)19-39-65(67)66-40-20-49(3)42-68(66)74)58-29-33-62(34-30-58)76(70-52(6)45-60(46-53(70)7)73(14,15)16)64-37-35-63(36-38-64)75(69-50(4)43-59(44-51(69)5)72(11,12)13)61-31-23-55(24-32-61)54-21-27-56(28-22-54)71(8,9)10/h17-46H,1-16H3
InChIKeyLZUSJZGVTSVOGD-UHFFFAOYSA-N
XLogP20.71
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500995.45
LogP ≤ 520.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

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
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
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
9-(4-tert-butylphenyl)-2,7-dimethyl-9-(4-methylphenyl)fluorene
CID 58371098
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-[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-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-(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-tert-butyl-2,6-dimethyl-N-(4-methylphenyl)-N-phenylaniline;2,7,9,9-tetramethylfluorene
CID 91449585
N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine;N-(2,6-dimethyl-4-phenylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-[4-(4-methoxyphenyl)phenyl]-9,9-diphenylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-[4-(4-methylphenyl)phenyl]-9,9-diphenylfluoren-2-amine
CID 165011248
N-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[9,9-bis(4-methylphenyl)fluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-[9,9-bis(4-methylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[9,9-bis(4-phenylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 158846091

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(C2(c3ccc(N(c4ccc(N(c5ccc(-c6ccc(C(C)(C)C)cc6)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)-1-N-[4-(4-tert-butylphenyl)phenyl]-4-N-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]benzene-1,4-diamine?
The InChIKey is LZUSJZGVTSVOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H78N2/c1-47-17-25-57(26-18-47)74(67-41-48(2)19-39-65(67)66-40-20-49(3)42-68(66)74)58-29-33-62(34-30-58)76(70-52(6)45-60(46-53(70)7)73(14,15)16)64-37-35-63(36-38-64)75(69-50(4)43-59(44-51(69)5)72(11,12)13)61-31-23-55(24-32-61)54-21-27-56(28-22-54)71(8,9)10/h17-46H,1-16H3.
What are the key properties of 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?
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 has a molecular weight of 995.45 g/mol, XLogP of 20.71, 9 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)-1-N-[4-(4-tert-butylphenyl)phenyl]-4-N-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]benzene-1,4-diamine is sourced from PubChem (CID 59480578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).