N-(2-dibenzofuran-3-ylphenyl)-2-[8-(3,5-ditert-butylphenyl)-2,3-dihydronaphthalen-1-yl]-N-[2-(9-phenylcarbazol-1-yl)phenyl]aniline

C72H60N2O — CID 170299916

IUPACN-(2-dibenzofuran-3-ylphenyl)-2-[8-(3,5-ditert-butylphenyl)-2,3-dihydronaphthalen-1-yl]-N-[2-(9-phenylcarbazol-1-yl)phenyl]aniline
SMILESCC(C)(C)c1cc(-c2cccc3c2=C(c2ccccc2N(c2ccccc2-c2ccc4c(c2)oc2ccccc24)c2ccccc2-c2cccc4c5ccccc5n(-c5ccccc5)c24)CCC=3)cc(C(C)(C)C)c1
InChIInChI=1S/C72H60N2O/c1-71(2,3)50-43-49(44-51(46-50)72(4,5)6)54-32-20-23-47-24-21-33-60(69(47)54)55-28-11-17-38-65(55)74(63-36-15-10-27-53(63)48-41-42-59-58-31-14-19-40-67(58)75-68(59)45-48)66-39-18-13-30-57(66)62-35-22-34-61-56-29-12-16-37-64(56)73(70(61)62)52-25-8-7-9-26-52/h7-20,22-32,34-46H,21,33H2,1-6H3
InChIKeyCEOGEGSIPCZCGC-UHFFFAOYSA-N
MW969.29 g/mol
LogP18.52
Rot. Bonds8

About N-(2-dibenzofuran-3-ylphenyl)-2-[8-(3,5-ditert-butylphenyl)-2,3-dihydronaphthalen-1-yl]-N-[2-(9-phenylcarbazol-1-yl)phenyl]aniline

N-(2-dibenzofuran-3-ylphenyl)-2-[8-(3,5-ditert-butylphenyl)-2,3-dihydronaphthalen-1-yl]-N-[2-(9-phenylcarbazol-1-yl)phenyl]aniline (PubChem CID 170299916) has the molecular formula C72H60N2O and a molecular weight of 969.29 g/mol. Its IUPAC name is N-(2-dibenzofuran-3-ylphenyl)-2-[8-(3,5-ditert-butylphenyl)-2,3-dihydronaphthalen-1-yl]-N-[2-(9-phenylcarbazol-1-yl)phenyl]aniline.

Molecular Properties

Compound NameN-(2-dibenzofuran-3-ylphenyl)-2-[8-(3,5-ditert-butylphenyl)-2,3-dihydronaphthalen-1-yl]-N-[2-(9-phenylcarbazol-1-yl)phenyl]aniline
PubChem CID170299916
Molecular FormulaC72H60N2O
Molecular Weight969.29 g/mol
Exact Mass968.47
IUPAC NameN-(2-dibenzofuran-3-ylphenyl)-2-[8-(3,5-ditert-butylphenyl)-2,3-dihydronaphthalen-1-yl]-N-[2-(9-phenylcarbazol-1-yl)phenyl]aniline
SMILESCC(C)(C)c1cc(-c2cccc3c2=C(c2ccccc2N(c2ccccc2-c2ccc4c(c2)oc2ccccc24)c2ccccc2-c2cccc4c5ccccc5n(-c5ccccc5)c24)CCC=3)cc(C(C)(C)C)c1
InChIInChI=1S/C72H60N2O/c1-71(2,3)50-43-49(44-51(46-50)72(4,5)6)54-32-20-23-47-24-21-33-60(69(47)54)55-28-11-17-38-65(55)74(63-36-15-10-27-53(63)48-41-42-59-58-31-14-19-40-67(58)75-68(59)45-48)66-39-18-13-30-57(66)62-35-22-34-61-56-29-12-16-37-64(56)73(70(61)62)52-25-8-7-9-26-52/h7-20,22-32,34-46H,21,33H2,1-6H3
InChIKeyCEOGEGSIPCZCGC-UHFFFAOYSA-N
XLogP18.52
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500969.29
LogP ≤ 518.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-dibenzofuran-3-ylphenyl)-2-(8-phenyl-2,3-dihydronaphthalen-1-yl)-N-[2-(4-phenylphenyl)phenyl]aniline
CID 170294791
1-dibenzofuran-3-yl-9-phenylcarbazole
CID 137466533
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine
CID 170300024
2-dibenzofuran-2-yl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]aniline
CID 170299811
N-(4-dibenzofuran-3-ylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298828
1-[2-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-9-phenylcarbazole
CID 170192632
N-(2-dibenzofuran-3-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]dibenzofuran-3-amine
CID 170300185
1-[2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole
CID 170191958
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 153314933
N-[2-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 170298890
N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 170298887
9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-1-phenylcarbazole
CID 163676020

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzofuran-3-ylphenyl)-2-[8-(3,5-ditert-butylphenyl)-2,3-dihydronaphthalen-1-yl]-N-[2-(9-phenylcarbazol-1-yl)phenyl]aniline?
The IUPAC name of N-(2-dibenzofuran-3-ylphenyl)-2-[8-(3,5-ditert-butylphenyl)-2,3-dihydronaphthalen-1-yl]-N-[2-(9-phenylcarbazol-1-yl)phenyl]aniline (CID 170299916) is N-(2-dibenzofuran-3-ylphenyl)-2-[8-(3,5-ditert-butylphenyl)-2,3-dihydronaphthalen-1-yl]-N-[2-(9-phenylcarbazol-1-yl)phenyl]aniline.
What is the SMILES notation for N-(2-dibenzofuran-3-ylphenyl)-2-[8-(3,5-ditert-butylphenyl)-2,3-dihydronaphthalen-1-yl]-N-[2-(9-phenylcarbazol-1-yl)phenyl]aniline?
The canonical SMILES for N-(2-dibenzofuran-3-ylphenyl)-2-[8-(3,5-ditert-butylphenyl)-2,3-dihydronaphthalen-1-yl]-N-[2-(9-phenylcarbazol-1-yl)phenyl]aniline is CC(C)(C)c1cc(-c2cccc3c2=C(c2ccccc2N(c2ccccc2-c2ccc4c(c2)oc2ccccc24)c2ccccc2-c2cccc4c5ccccc5n(-c5ccccc5)c24)CCC=3)cc(C(C)(C)C)c1.
What is the InChIKey of N-(2-dibenzofuran-3-ylphenyl)-2-[8-(3,5-ditert-butylphenyl)-2,3-dihydronaphthalen-1-yl]-N-[2-(9-phenylcarbazol-1-yl)phenyl]aniline?
The InChIKey is CEOGEGSIPCZCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H60N2O/c1-71(2,3)50-43-49(44-51(46-50)72(4,5)6)54-32-20-23-47-24-21-33-60(69(47)54)55-28-11-17-38-65(55)74(63-36-15-10-27-53(63)48-41-42-59-58-31-14-19-40-67(58)75-68(59)45-48)66-39-18-13-30-57(66)62-35-22-34-61-56-29-12-16-37-64(56)73(70(61)62)52-25-8-7-9-26-52/h7-20,22-32,34-46H,21,33H2,1-6H3.
What are the key properties of N-(2-dibenzofuran-3-ylphenyl)-2-[8-(3,5-ditert-butylphenyl)-2,3-dihydronaphthalen-1-yl]-N-[2-(9-phenylcarbazol-1-yl)phenyl]aniline?
N-(2-dibenzofuran-3-ylphenyl)-2-[8-(3,5-ditert-butylphenyl)-2,3-dihydronaphthalen-1-yl]-N-[2-(9-phenylcarbazol-1-yl)phenyl]aniline has a molecular weight of 969.29 g/mol, XLogP of 18.52, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dibenzofuran-3-ylphenyl)-2-[8-(3,5-ditert-butylphenyl)-2,3-dihydronaphthalen-1-yl]-N-[2-(9-phenylcarbazol-1-yl)phenyl]aniline is sourced from PubChem (CID 170299916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).