N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-(1-dibenzofuran-3-ylnaphthalen-2-yl)-9,9-diphenylfluoren-3-amine

C69H51NO — CID 168801967

IUPACN-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-(1-dibenzofuran-3-ylnaphthalen-2-yl)-9,9-diphenylfluoren-3-amine
SMILESCC(C)(C)c1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)c3ccc4ccccc4c3-c3ccc4c(c3)oc3ccccc34)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C69H51NO/c1-68(2,3)51-36-31-46(32-37-51)49-35-41-63(59(43-49)47-19-7-4-8-20-47)70(64-42-34-48-21-13-14-26-55(48)67(64)50-33-39-58-57-28-16-18-30-65(57)71-66(58)44-50)54-38-40-62-60(45-54)56-27-15-17-29-61(56)69(62,52-22-9-5-10-23-52)53-24-11-6-12-25-53/h4-45H,1-3H3
InChIKeyPIPYNNMWSLCUQO-UHFFFAOYSA-N
MW910.17 g/mol
LogP18.87
Rot. Bonds8

About N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-(1-dibenzofuran-3-ylnaphthalen-2-yl)-9,9-diphenylfluoren-3-amine

N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-(1-dibenzofuran-3-ylnaphthalen-2-yl)-9,9-diphenylfluoren-3-amine (PubChem CID 168801967) has the molecular formula C69H51NO and a molecular weight of 910.17 g/mol. Its IUPAC name is N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-(1-dibenzofuran-3-ylnaphthalen-2-yl)-9,9-diphenylfluoren-3-amine.

Molecular Properties

Compound NameN-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-(1-dibenzofuran-3-ylnaphthalen-2-yl)-9,9-diphenylfluoren-3-amine
PubChem CID168801967
Molecular FormulaC69H51NO
Molecular Weight910.17 g/mol
Exact Mass909.40
IUPAC NameN-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-(1-dibenzofuran-3-ylnaphthalen-2-yl)-9,9-diphenylfluoren-3-amine
SMILESCC(C)(C)c1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)c3ccc4ccccc4c3-c3ccc4c(c3)oc3ccccc34)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C69H51NO/c1-68(2,3)51-36-31-46(32-37-51)49-35-41-63(59(43-49)47-19-7-4-8-20-47)70(64-42-34-48-21-13-14-26-55(48)67(64)50-33-39-58-57-28-16-18-30-65(57)71-66(58)44-50)54-38-40-62-60(45-54)56-27-15-17-29-61(56)69(62,52-22-9-5-10-23-52)53-24-11-6-12-25-53/h4-45H,1-3H3
InChIKeyPIPYNNMWSLCUQO-UHFFFAOYSA-N
XLogP18.87
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500910.17
LogP ≤ 518.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-[1-(3-dibenzofuran-4-ylphenyl)naphthalen-2-yl]-9,9-diphenylfluoren-3-amine
CID 168802401
N-(4-tert-butylphenyl)-N-(1-dibenzofuran-2-ylnaphthalen-2-yl)-9,9-diphenylfluoren-3-amine
CID 168802092
N-[4-(4-tert-butylphenyl)-2,6-diphenylphenyl]-N-[1-(2-dibenzofuran-1-ylphenyl)naphthalen-2-yl]-9,9-diphenylfluoren-3-amine
CID 168802034
N-(2,4-diphenylphenyl)-9,9-diphenyl-N-[1-(4-phenylphenyl)naphthalen-2-yl]fluoren-3-amine
CID 168802278
N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-[1-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-2-yl]-9,9-diphenylfluoren-3-amine
CID 168801942
N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-3-amine
CID 168802427
N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-(1-dibenzofuran-2-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine
CID 168802375
N-[4-[4-(4-tert-butylphenyl)phenyl]-2-phenylphenyl]-9,9-dimethyl-N-[1-(2-phenylphenyl)naphthalen-2-yl]fluoren-3-amine
CID 168802051
N-(2,4-diphenylphenyl)-9,9-diphenyl-N-(1-phenylnaphthalen-2-yl)fluoren-2-amine
CID 166048535
N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-(1-dibenzofuran-1-ylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-3-amine
CID 168801937
N-(4-tert-butyl-2-phenylphenyl)-N-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]dibenzofuran-2-amine
CID 168802493
N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-[1-(2-dibenzofuran-1-ylphenyl)naphthalen-2-yl]-9,9-dimethylfluoren-2-amine
CID 168802158

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-(1-dibenzofuran-3-ylnaphthalen-2-yl)-9,9-diphenylfluoren-3-amine?
The IUPAC name of N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-(1-dibenzofuran-3-ylnaphthalen-2-yl)-9,9-diphenylfluoren-3-amine (CID 168801967) is N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-(1-dibenzofuran-3-ylnaphthalen-2-yl)-9,9-diphenylfluoren-3-amine.
What is the SMILES notation for N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-(1-dibenzofuran-3-ylnaphthalen-2-yl)-9,9-diphenylfluoren-3-amine?
The canonical SMILES for N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-(1-dibenzofuran-3-ylnaphthalen-2-yl)-9,9-diphenylfluoren-3-amine is CC(C)(C)c1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)c3ccc4ccccc4c3-c3ccc4c(c3)oc3ccccc34)c(-c3ccccc3)c2)cc1.
What is the InChIKey of N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-(1-dibenzofuran-3-ylnaphthalen-2-yl)-9,9-diphenylfluoren-3-amine?
The InChIKey is PIPYNNMWSLCUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H51NO/c1-68(2,3)51-36-31-46(32-37-51)49-35-41-63(59(43-49)47-19-7-4-8-20-47)70(64-42-34-48-21-13-14-26-55(48)67(64)50-33-39-58-57-28-16-18-30-65(57)71-66(58)44-50)54-38-40-62-60(45-54)56-27-15-17-29-61(56)69(62,52-22-9-5-10-23-52)53-24-11-6-12-25-53/h4-45H,1-3H3.
What are the key properties of N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-(1-dibenzofuran-3-ylnaphthalen-2-yl)-9,9-diphenylfluoren-3-amine?
N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-(1-dibenzofuran-3-ylnaphthalen-2-yl)-9,9-diphenylfluoren-3-amine has a molecular weight of 910.17 g/mol, XLogP of 18.87, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-(1-dibenzofuran-3-ylnaphthalen-2-yl)-9,9-diphenylfluoren-3-amine is sourced from PubChem (CID 168801967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).