8-cyclohexyl-N-[4-[4-(N-(8-cyclohexyldibenzofuran-2-yl)anilino)phenyl]phenyl]-N-phenyldibenzofuran-2-amine

C60H52N2O2 — CID 71126832

IUPAC8-cyclohexyl-N-[4-[4-(N-(8-cyclohexyldibenzofuran-2-yl)anilino)phenyl]phenyl]-N-phenyldibenzofuran-2-amine
SMILESc1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5oc6ccc(C7CCCCC7)cc6c5c4)cc3)cc2)c2ccc3oc4ccc(C5CCCCC5)cc4c3c2)cc1
InChIInChI=1S/C60H52N2O2/c1-5-13-41(14-6-1)45-25-33-57-53(37-45)55-39-51(31-35-59(55)63-57)61(47-17-9-3-10-18-47)49-27-21-43(22-28-49)44-23-29-50(30-24-44)62(48-19-11-4-12-20-48)52-32-36-60-56(40-52)54-38-46(26-34-58(54)64-60)42-15-7-2-8-16-42/h3-4,9-12,17-42H,1-2,5-8,13-16H2
InChIKeyJSHAWMHUNIBUKN-UHFFFAOYSA-N
MW833.09 g/mol
LogP18.19
Rot. Bonds9

About 8-cyclohexyl-N-[4-[4-(N-(8-cyclohexyldibenzofuran-2-yl)anilino)phenyl]phenyl]-N-phenyldibenzofuran-2-amine

8-cyclohexyl-N-[4-[4-(N-(8-cyclohexyldibenzofuran-2-yl)anilino)phenyl]phenyl]-N-phenyldibenzofuran-2-amine (PubChem CID 71126832) has the molecular formula C60H52N2O2 and a molecular weight of 833.09 g/mol. Its IUPAC name is 8-cyclohexyl-N-[4-[4-(N-(8-cyclohexyldibenzofuran-2-yl)anilino)phenyl]phenyl]-N-phenyldibenzofuran-2-amine.

Molecular Properties

Compound Name8-cyclohexyl-N-[4-[4-(N-(8-cyclohexyldibenzofuran-2-yl)anilino)phenyl]phenyl]-N-phenyldibenzofuran-2-amine
PubChem CID71126832
Molecular FormulaC60H52N2O2
Molecular Weight833.09 g/mol
Exact Mass832.40
IUPAC Name8-cyclohexyl-N-[4-[4-(N-(8-cyclohexyldibenzofuran-2-yl)anilino)phenyl]phenyl]-N-phenyldibenzofuran-2-amine
SMILESc1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5oc6ccc(C7CCCCC7)cc6c5c4)cc3)cc2)c2ccc3oc4ccc(C5CCCCC5)cc4c3c2)cc1
InChIInChI=1S/C60H52N2O2/c1-5-13-41(14-6-1)45-25-33-57-53(37-45)55-39-51(31-35-59(55)63-57)61(47-17-9-3-10-18-47)49-27-21-43(22-28-49)44-23-29-50(30-24-44)62(48-19-11-4-12-20-48)52-32-36-60-56(40-52)54-38-46(26-34-58(54)64-60)42-15-7-2-8-16-42/h3-4,9-12,17-42H,1-2,5-8,13-16H2
InChIKeyJSHAWMHUNIBUKN-UHFFFAOYSA-N
XLogP18.19
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500833.09
LogP ≤ 518.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,8-N-diphenyl-2-N,8-N-bis[4-(N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-2,8-diamine
CID 145264524
(3R)-5-N'-(4-cyclohexylphenyl)-5-N'-dibenzofuran-2-yl-5-N,5-N-diphenyl-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine
CID 170780246
2-cyclohexyldibenzofuran
CID 163628573
N-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 174245859
N-(4-dibenzofuran-2-ylphenyl)-N-phenyldibenzofuran-2-amine
CID 90350985
N,16-diphenyl-N-[4-(4-phenylphenyl)phenyl]-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-nonaen-6-amine
CID 171050312
N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 118405736
N,4-diphenyl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]aniline;4-phenyl-N,N-bis(4-phenylphenyl)aniline;4-phenyl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)aniline;4-phenyl-N-[4-[4-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 158000824
8-phenyl-N,N-bis(8-phenyldibenzofuran-2-yl)dibenzofuran-2-amine
CID 59470035
16-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]-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-nonaen-6-amine
CID 171050361
2-N,8-N-diphenyl-2-N,8-N-bis[3-phenyl-5-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine
CID 135189551
2-N-dibenzofuran-3-yl-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-2,7-diamine
CID 146576058

Frequently Asked Questions

What is the IUPAC name of 8-cyclohexyl-N-[4-[4-(N-(8-cyclohexyldibenzofuran-2-yl)anilino)phenyl]phenyl]-N-phenyldibenzofuran-2-amine?
The IUPAC name of 8-cyclohexyl-N-[4-[4-(N-(8-cyclohexyldibenzofuran-2-yl)anilino)phenyl]phenyl]-N-phenyldibenzofuran-2-amine (CID 71126832) is 8-cyclohexyl-N-[4-[4-(N-(8-cyclohexyldibenzofuran-2-yl)anilino)phenyl]phenyl]-N-phenyldibenzofuran-2-amine.
What is the SMILES notation for 8-cyclohexyl-N-[4-[4-(N-(8-cyclohexyldibenzofuran-2-yl)anilino)phenyl]phenyl]-N-phenyldibenzofuran-2-amine?
The canonical SMILES for 8-cyclohexyl-N-[4-[4-(N-(8-cyclohexyldibenzofuran-2-yl)anilino)phenyl]phenyl]-N-phenyldibenzofuran-2-amine is c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5oc6ccc(C7CCCCC7)cc6c5c4)cc3)cc2)c2ccc3oc4ccc(C5CCCCC5)cc4c3c2)cc1.
What is the InChIKey of 8-cyclohexyl-N-[4-[4-(N-(8-cyclohexyldibenzofuran-2-yl)anilino)phenyl]phenyl]-N-phenyldibenzofuran-2-amine?
The InChIKey is JSHAWMHUNIBUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H52N2O2/c1-5-13-41(14-6-1)45-25-33-57-53(37-45)55-39-51(31-35-59(55)63-57)61(47-17-9-3-10-18-47)49-27-21-43(22-28-49)44-23-29-50(30-24-44)62(48-19-11-4-12-20-48)52-32-36-60-56(40-52)54-38-46(26-34-58(54)64-60)42-15-7-2-8-16-42/h3-4,9-12,17-42H,1-2,5-8,13-16H2.
What are the key properties of 8-cyclohexyl-N-[4-[4-(N-(8-cyclohexyldibenzofuran-2-yl)anilino)phenyl]phenyl]-N-phenyldibenzofuran-2-amine?
8-cyclohexyl-N-[4-[4-(N-(8-cyclohexyldibenzofuran-2-yl)anilino)phenyl]phenyl]-N-phenyldibenzofuran-2-amine has a molecular weight of 833.09 g/mol, XLogP of 18.19, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclohexyl-N-[4-[4-(N-(8-cyclohexyldibenzofuran-2-yl)anilino)phenyl]phenyl]-N-phenyldibenzofuran-2-amine is sourced from PubChem (CID 71126832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).