N-(4-tert-butylphenyl)-4-[4-[N-(4-tert-butylphenyl)-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]anilino]phenyl]-N-[4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]aniline

C80H80N2S6 — CID 58825538

IUPACN-(4-tert-butylphenyl)-4-[4-[N-(4-tert-butylphenyl)-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]anilino]phenyl]-N-[4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]aniline
SMILESCCCCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(N(c5ccc(-c6ccc(N(c7ccc(-c8ccc(-c9ccc(-c%10ccc(CCCCCC)s%10)s9)s8)cc7)c7ccc(C(C)(C)C)cc7)cc6)cc5)c5ccc(C(C)(C)C)cc5)cc4)s3)s2)s1
InChIInChI=1S/C80H80N2S6/c1-9-11-13-15-17-67-43-45-71(83-67)73-51-53-77(87-73)75-49-47-69(85-75)57-23-35-63(36-24-57)81(65-39-27-59(28-40-65)79(3,4)5)61-31-19-55(20-32-61)56-21-33-62(34-22-56)82(66-41-29-60(30-42-66)80(6,7)8)64-37-25-58(26-38-64)70-48-50-76(86-70)78-54-52-74(88-78)72-46-44-68(84-72)18-16-14-12-10-2/h19-54H,9-18H2,1-8H3
InChIKeyTZPXUHBJAGXZMS-UHFFFAOYSA-N
MW1261.94 g/mol
LogP27.50
Rot. Bonds23

About N-(4-tert-butylphenyl)-4-[4-[N-(4-tert-butylphenyl)-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]anilino]phenyl]-N-[4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]aniline

N-(4-tert-butylphenyl)-4-[4-[N-(4-tert-butylphenyl)-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]anilino]phenyl]-N-[4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]aniline (PubChem CID 58825538) has the molecular formula C80H80N2S6 and a molecular weight of 1261.94 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-4-[4-[N-(4-tert-butylphenyl)-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]anilino]phenyl]-N-[4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]aniline.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-4-[4-[N-(4-tert-butylphenyl)-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]anilino]phenyl]-N-[4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]aniline
PubChem CID58825538
Molecular FormulaC80H80N2S6
Molecular Weight1261.94 g/mol
Exact Mass1260.46
IUPAC NameN-(4-tert-butylphenyl)-4-[4-[N-(4-tert-butylphenyl)-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]anilino]phenyl]-N-[4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]aniline
SMILESCCCCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(N(c5ccc(-c6ccc(N(c7ccc(-c8ccc(-c9ccc(-c%10ccc(CCCCCC)s%10)s9)s8)cc7)c7ccc(C(C)(C)C)cc7)cc6)cc5)c5ccc(C(C)(C)C)cc5)cc4)s3)s2)s1
InChIInChI=1S/C80H80N2S6/c1-9-11-13-15-17-67-43-45-71(83-67)73-51-53-77(87-73)75-49-47-69(85-75)57-23-35-63(36-24-57)81(65-39-27-59(28-40-65)79(3,4)5)61-31-19-55(20-32-61)56-21-33-62(34-22-56)82(66-41-29-60(30-42-66)80(6,7)8)64-37-25-58(26-38-64)70-48-50-76(86-70)78-54-52-74(88-78)72-46-44-68(84-72)18-16-14-12-10-2/h19-54H,9-18H2,1-8H3
InChIKeyTZPXUHBJAGXZMS-UHFFFAOYSA-N
XLogP27.50
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds23
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001261.94
LogP ≤ 527.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-(4-tert-butylphenyl)-4-[4-[N-(4-tert-butylphenyl)-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]anilino]phenyl]-N-[4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]aniline with MolForge

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Related Compounds

5-[5-[4-[4-(5-hexylthiophen-2-yl)-N-[4-(5-hexylthiophen-2-yl)phenyl]anilino]phenyl]thiophen-2-yl]thiophene-2-carboxylic acid
CID 101136994
2-dodecyl-5-[5-[5-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 24746397
4-[5-[7-(5-hexylthiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]thiophen-2-yl]-N,N-bis[4-[5-[7-(5-hexylthiophen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]thiophen-2-yl]phenyl]aniline
CID 102383573
2-hexyl-5-[5-[5-[4-[4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenoxy]phenyl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 59288478
N-(4-tert-butylphenyl)-N-[4-[4-[N-(4-tert-butylphenyl)-4-[5-[5-(7-methyl-9,9-dioctylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]anilino]phenyl]phenyl]-4-methylaniline
CID 59431360
2-hexyl-5-[5-[5-[5-[5-[4-[2-(4-methylphenyl)ethenyl]phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 72567089
3,7-bis[5-(5-hexylthiophen-2-yl)thiophen-2-yl]dibenzothiophene
CID 59489217
2-dodecyl-5-[5-[2,3,4,5,6-pentakis[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]phenyl]thiophen-2-yl]thiophene
CID 101109939
2-hexyl-5-(4-methoxyphenyl)thiophene
CID 70491963
2-hexyl-5-[6-(5-hexylthiophen-2-yl)anthracen-2-yl]thiophene
CID 59695623
7,17-bis[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene
CID 118149902
6,17-bis[5-(5-octylthiophen-2-yl)thiophen-2-yl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene
CID 118285666

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-4-[4-[N-(4-tert-butylphenyl)-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]anilino]phenyl]-N-[4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]aniline?
The IUPAC name of N-(4-tert-butylphenyl)-4-[4-[N-(4-tert-butylphenyl)-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]anilino]phenyl]-N-[4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]aniline (CID 58825538) is N-(4-tert-butylphenyl)-4-[4-[N-(4-tert-butylphenyl)-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]anilino]phenyl]-N-[4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]aniline.
What is the SMILES notation for N-(4-tert-butylphenyl)-4-[4-[N-(4-tert-butylphenyl)-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]anilino]phenyl]-N-[4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]aniline?
The canonical SMILES for N-(4-tert-butylphenyl)-4-[4-[N-(4-tert-butylphenyl)-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]anilino]phenyl]-N-[4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]aniline is CCCCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(N(c5ccc(-c6ccc(N(c7ccc(-c8ccc(-c9ccc(-c%10ccc(CCCCCC)s%10)s9)s8)cc7)c7ccc(C(C)(C)C)cc7)cc6)cc5)c5ccc(C(C)(C)C)cc5)cc4)s3)s2)s1.
What is the InChIKey of N-(4-tert-butylphenyl)-4-[4-[N-(4-tert-butylphenyl)-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]anilino]phenyl]-N-[4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]aniline?
The InChIKey is TZPXUHBJAGXZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H80N2S6/c1-9-11-13-15-17-67-43-45-71(83-67)73-51-53-77(87-73)75-49-47-69(85-75)57-23-35-63(36-24-57)81(65-39-27-59(28-40-65)79(3,4)5)61-31-19-55(20-32-61)56-21-33-62(34-22-56)82(66-41-29-60(30-42-66)80(6,7)8)64-37-25-58(26-38-64)70-48-50-76(86-70)78-54-52-74(88-78)72-46-44-68(84-72)18-16-14-12-10-2/h19-54H,9-18H2,1-8H3.
What are the key properties of N-(4-tert-butylphenyl)-4-[4-[N-(4-tert-butylphenyl)-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]anilino]phenyl]-N-[4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]aniline?
N-(4-tert-butylphenyl)-4-[4-[N-(4-tert-butylphenyl)-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]anilino]phenyl]-N-[4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]aniline has a molecular weight of 1261.94 g/mol, XLogP of 27.50, 23 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-4-[4-[N-(4-tert-butylphenyl)-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]anilino]phenyl]-N-[4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]aniline is sourced from PubChem (CID 58825538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).