4-[2-(4-tert-butylphenyl)ethyl]-6-dibenzofuran-2-yl-N-[4-(6-methyl-6,7-dihydrodibenzofuran-2-yl)cyclohexa-2,4-dien-1-yl]-N-[4-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-8-(2-phenylethyl)naphthalen-2-amine

C81H71NO2 — CID 143859107

IUPAC4-[2-(4-tert-butylphenyl)ethyl]-6-dibenzofuran-2-yl-N-[4-(6-methyl-6,7-dihydrodibenzofuran-2-yl)cyclohexa-2,4-dien-1-yl]-N-[4-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-8-(2-phenylethyl)naphthalen-2-amine
SMILESCc1ccccc1-c1cc(-c2ccc(N(c3cc(CCc4ccc(C(C)(C)C)cc4)c4cc(-c5ccc6oc7ccccc7c6c5)cc(CCc5ccccc5)c4c3)C3C=CC(c4ccc5oc6c(c5c4)C=CCC6C)=CC3)cc2)ccc1C
InChIInChI=1S/C81H71NO2/c1-52-15-10-11-19-69(52)72-47-59(28-23-53(72)2)57-31-39-66(40-32-57)82(67-41-33-58(34-42-67)60-35-44-79-76(48-60)71-21-14-16-54(3)80(71)84-79)68-46-63(30-25-56-26-37-65(38-27-56)81(4,5)6)73-50-64(45-62(74(73)51-68)29-24-55-17-8-7-9-18-55)61-36-43-78-75(49-61)70-20-12-13-22-77(70)83-78/h7-15,17-23,26-28,31-41,43-51,54,67H,16,24-25,29-30,42H2,1-6H3
InChIKeySGMRRHCPUVQPEJ-UHFFFAOYSA-N
MW1090.46 g/mol
LogP22.04
Rot. Bonds13

About 4-[2-(4-tert-butylphenyl)ethyl]-6-dibenzofuran-2-yl-N-[4-(6-methyl-6,7-dihydrodibenzofuran-2-yl)cyclohexa-2,4-dien-1-yl]-N-[4-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-8-(2-phenylethyl)naphthalen-2-amine

4-[2-(4-tert-butylphenyl)ethyl]-6-dibenzofuran-2-yl-N-[4-(6-methyl-6,7-dihydrodibenzofuran-2-yl)cyclohexa-2,4-dien-1-yl]-N-[4-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-8-(2-phenylethyl)naphthalen-2-amine (PubChem CID 143859107) has the molecular formula C81H71NO2 and a molecular weight of 1090.46 g/mol. Its IUPAC name is 4-[2-(4-tert-butylphenyl)ethyl]-6-dibenzofuran-2-yl-N-[4-(6-methyl-6,7-dihydrodibenzofuran-2-yl)cyclohexa-2,4-dien-1-yl]-N-[4-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-8-(2-phenylethyl)naphthalen-2-amine.

Molecular Properties

Compound Name4-[2-(4-tert-butylphenyl)ethyl]-6-dibenzofuran-2-yl-N-[4-(6-methyl-6,7-dihydrodibenzofuran-2-yl)cyclohexa-2,4-dien-1-yl]-N-[4-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-8-(2-phenylethyl)naphthalen-2-amine
PubChem CID143859107
Molecular FormulaC81H71NO2
Molecular Weight1090.46 g/mol
Exact Mass1089.55
IUPAC Name4-[2-(4-tert-butylphenyl)ethyl]-6-dibenzofuran-2-yl-N-[4-(6-methyl-6,7-dihydrodibenzofuran-2-yl)cyclohexa-2,4-dien-1-yl]-N-[4-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-8-(2-phenylethyl)naphthalen-2-amine
SMILESCc1ccccc1-c1cc(-c2ccc(N(c3cc(CCc4ccc(C(C)(C)C)cc4)c4cc(-c5ccc6oc7ccccc7c6c5)cc(CCc5ccccc5)c4c3)C3C=CC(c4ccc5oc6c(c5c4)C=CCC6C)=CC3)cc2)ccc1C
InChIInChI=1S/C81H71NO2/c1-52-15-10-11-19-69(52)72-47-59(28-23-53(72)2)57-31-39-66(40-32-57)82(67-41-33-58(34-42-67)60-35-44-79-76(48-60)71-21-14-16-54(3)80(71)84-79)68-46-63(30-25-56-26-37-65(38-27-56)81(4,5)6)73-50-64(45-62(74(73)51-68)29-24-55-17-8-7-9-18-55)61-36-43-78-75(49-61)70-20-12-13-22-77(70)83-78/h7-15,17-23,26-28,31-41,43-51,54,67H,16,24-25,29-30,42H2,1-6H3
InChIKeySGMRRHCPUVQPEJ-UHFFFAOYSA-N
XLogP22.04
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001090.46
LogP ≤ 522.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[2-(4-tert-butylphenyl)ethyl]-6-dibenzofuran-2-yl-N-[4-(6-methyl-6,7-dihydrodibenzofuran-2-yl)cyclohexa-2,4-dien-1-yl]-N-[4-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-8-(2-phenylethyl)naphthalen-2-amine with MolForge

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Related Compounds

N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylcyclohexa-2,4-dien-1-yl)dibenzofuran-2-amine
CID 170250079
4-(4-butylphenyl)-N-(4-dibenzofuran-1-ylcyclohexa-2,4-dien-1-yl)-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)aniline
CID 170128535
N-[4-[3-[4-(N-dibenzofuran-2-ylanilino)phenyl]-5-phenylphenyl]cyclohexa-2,4-dien-1-yl]-N,9-diphenylcarbazol-3-amine
CID 90207063
N-(4-dibenzofuran-4-ylcyclohexa-2,4-dien-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline
CID 134171841
N-(4-dibenzofuran-2-ylphenyl)-N-[4-methyl-3-(2-methylphenyl)phenyl]naphthalen-1-amine
CID 145067582
11-dibenzofuran-3-yl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)benzo[a]carbazol-2-amine
CID 146186880
3-[3-[2-[2-(3-dibenzofuran-2-ylphenyl)ethyl]phenyl]-4-methylphenyl]-9-phenylcarbazole
CID 126760057
N-(4-tert-butylphenyl)-N-(4-dibenzofuran-2-ylphenyl)phenanthren-2-amine
CID 121327873
2-(2-methylphenyl)dibenzofuran
CID 118188503
N-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-methyl-3-[1-(3-phenylprop-1-en-2-yl)naphthalen-2-yl]phenyl]phenyl]naphthalen-1-amine
CID 138488794
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-5-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-8-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167253427
7-[4-methyl-3-(5-phenyl-2-propylphenyl)phenyl]-17-(8-phenyldibenzofuran-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene
CID 143904980

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-tert-butylphenyl)ethyl]-6-dibenzofuran-2-yl-N-[4-(6-methyl-6,7-dihydrodibenzofuran-2-yl)cyclohexa-2,4-dien-1-yl]-N-[4-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-8-(2-phenylethyl)naphthalen-2-amine?
The IUPAC name of 4-[2-(4-tert-butylphenyl)ethyl]-6-dibenzofuran-2-yl-N-[4-(6-methyl-6,7-dihydrodibenzofuran-2-yl)cyclohexa-2,4-dien-1-yl]-N-[4-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-8-(2-phenylethyl)naphthalen-2-amine (CID 143859107) is 4-[2-(4-tert-butylphenyl)ethyl]-6-dibenzofuran-2-yl-N-[4-(6-methyl-6,7-dihydrodibenzofuran-2-yl)cyclohexa-2,4-dien-1-yl]-N-[4-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-8-(2-phenylethyl)naphthalen-2-amine.
What is the SMILES notation for 4-[2-(4-tert-butylphenyl)ethyl]-6-dibenzofuran-2-yl-N-[4-(6-methyl-6,7-dihydrodibenzofuran-2-yl)cyclohexa-2,4-dien-1-yl]-N-[4-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-8-(2-phenylethyl)naphthalen-2-amine?
The canonical SMILES for 4-[2-(4-tert-butylphenyl)ethyl]-6-dibenzofuran-2-yl-N-[4-(6-methyl-6,7-dihydrodibenzofuran-2-yl)cyclohexa-2,4-dien-1-yl]-N-[4-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-8-(2-phenylethyl)naphthalen-2-amine is Cc1ccccc1-c1cc(-c2ccc(N(c3cc(CCc4ccc(C(C)(C)C)cc4)c4cc(-c5ccc6oc7ccccc7c6c5)cc(CCc5ccccc5)c4c3)C3C=CC(c4ccc5oc6c(c5c4)C=CCC6C)=CC3)cc2)ccc1C.
What is the InChIKey of 4-[2-(4-tert-butylphenyl)ethyl]-6-dibenzofuran-2-yl-N-[4-(6-methyl-6,7-dihydrodibenzofuran-2-yl)cyclohexa-2,4-dien-1-yl]-N-[4-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-8-(2-phenylethyl)naphthalen-2-amine?
The InChIKey is SGMRRHCPUVQPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H71NO2/c1-52-15-10-11-19-69(52)72-47-59(28-23-53(72)2)57-31-39-66(40-32-57)82(67-41-33-58(34-42-67)60-35-44-79-76(48-60)71-21-14-16-54(3)80(71)84-79)68-46-63(30-25-56-26-37-65(38-27-56)81(4,5)6)73-50-64(45-62(74(73)51-68)29-24-55-17-8-7-9-18-55)61-36-43-78-75(49-61)70-20-12-13-22-77(70)83-78/h7-15,17-23,26-28,31-41,43-51,54,67H,16,24-25,29-30,42H2,1-6H3.
What are the key properties of 4-[2-(4-tert-butylphenyl)ethyl]-6-dibenzofuran-2-yl-N-[4-(6-methyl-6,7-dihydrodibenzofuran-2-yl)cyclohexa-2,4-dien-1-yl]-N-[4-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-8-(2-phenylethyl)naphthalen-2-amine?
4-[2-(4-tert-butylphenyl)ethyl]-6-dibenzofuran-2-yl-N-[4-(6-methyl-6,7-dihydrodibenzofuran-2-yl)cyclohexa-2,4-dien-1-yl]-N-[4-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-8-(2-phenylethyl)naphthalen-2-amine has a molecular weight of 1090.46 g/mol, XLogP of 22.04, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-tert-butylphenyl)ethyl]-6-dibenzofuran-2-yl-N-[4-(6-methyl-6,7-dihydrodibenzofuran-2-yl)cyclohexa-2,4-dien-1-yl]-N-[4-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-8-(2-phenylethyl)naphthalen-2-amine is sourced from PubChem (CID 143859107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).