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

C75H55NO — CID 168802401

IUPACN-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-[1-(3-dibenzofuran-4-ylphenyl)naphthalen-2-yl]-9,9-diphenylfluoren-3-amine
SMILESCC(C)(C)c1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)c3ccc4ccccc4c3-c3cccc(-c4cccc5c4oc4ccccc45)c3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C75H55NO/c1-74(2,3)56-41-37-50(38-42-56)53-40-45-69(65(48-53)51-21-7-4-8-22-51)76(59-43-44-68-66(49-59)62-31-15-17-35-67(62)75(68,57-26-9-5-10-27-57)58-28-11-6-12-29-58)70-46-39-52-23-13-14-30-60(52)72(70)55-25-19-24-54(47-55)61-33-20-34-64-63-32-16-18-36-71(63)77-73(61)64/h4-49H,1-3H3
InChIKeyXZALAZSKZXJCSF-UHFFFAOYSA-N
MW986.27 g/mol
LogP20.54
Rot. Bonds9

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

N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-[1-(3-dibenzofuran-4-ylphenyl)naphthalen-2-yl]-9,9-diphenylfluoren-3-amine (PubChem CID 168802401) has the molecular formula C75H55NO and a molecular weight of 986.27 g/mol. Its IUPAC name is N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-[1-(3-dibenzofuran-4-ylphenyl)naphthalen-2-yl]-9,9-diphenylfluoren-3-amine.

Molecular Properties

Compound NameN-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-[1-(3-dibenzofuran-4-ylphenyl)naphthalen-2-yl]-9,9-diphenylfluoren-3-amine
PubChem CID168802401
Molecular FormulaC75H55NO
Molecular Weight986.27 g/mol
Exact Mass985.43
IUPAC NameN-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-[1-(3-dibenzofuran-4-ylphenyl)naphthalen-2-yl]-9,9-diphenylfluoren-3-amine
SMILESCC(C)(C)c1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)c3ccc4ccccc4c3-c3cccc(-c4cccc5c4oc4ccccc45)c3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C75H55NO/c1-74(2,3)56-41-37-50(38-42-56)53-40-45-69(65(48-53)51-21-7-4-8-22-51)76(59-43-44-68-66(49-59)62-31-15-17-35-67(62)75(68,57-26-9-5-10-27-57)58-28-11-6-12-29-58)70-46-39-52-23-13-14-30-60(52)72(70)55-25-19-24-54(47-55)61-33-20-34-64-63-32-16-18-36-71(63)77-73(61)64/h4-49H,1-3H3
InChIKeyXZALAZSKZXJCSF-UHFFFAOYSA-N
XLogP20.54
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500986.27
LogP ≤ 520.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-(1-dibenzofuran-3-ylnaphthalen-2-yl)-9,9-diphenylfluoren-3-amine
CID 168801967
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-tert-butyl-2-phenylphenyl)-N-(1-dibenzofuran-4-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine
CID 168802215
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-dibenzofuran-4-ylphenyl)-2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline
CID 168839801
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]-2-phenylphenyl]-9,9-dimethyl-N-[1-(2-phenylphenyl)naphthalen-2-yl]fluoren-3-amine
CID 168802051
9,9-bis(4-tert-butylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 158201321
N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 121425114
N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-[3-(9,9-diphenylfluoren-3-yl)phenyl]quinolin-2-yl]phenyl]-4-phenylaniline
CID 170652868

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-[1-(3-dibenzofuran-4-ylphenyl)naphthalen-2-yl]-9,9-diphenylfluoren-3-amine?
The IUPAC name of N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-[1-(3-dibenzofuran-4-ylphenyl)naphthalen-2-yl]-9,9-diphenylfluoren-3-amine (CID 168802401) is N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-[1-(3-dibenzofuran-4-ylphenyl)naphthalen-2-yl]-9,9-diphenylfluoren-3-amine.
What is the SMILES notation for N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-[1-(3-dibenzofuran-4-ylphenyl)naphthalen-2-yl]-9,9-diphenylfluoren-3-amine?
The canonical SMILES for N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-[1-(3-dibenzofuran-4-ylphenyl)naphthalen-2-yl]-9,9-diphenylfluoren-3-amine is CC(C)(C)c1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)c3ccc4ccccc4c3-c3cccc(-c4cccc5c4oc4ccccc45)c3)c(-c3ccccc3)c2)cc1.
What is the InChIKey of N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-[1-(3-dibenzofuran-4-ylphenyl)naphthalen-2-yl]-9,9-diphenylfluoren-3-amine?
The InChIKey is XZALAZSKZXJCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H55NO/c1-74(2,3)56-41-37-50(38-42-56)53-40-45-69(65(48-53)51-21-7-4-8-22-51)76(59-43-44-68-66(49-59)62-31-15-17-35-67(62)75(68,57-26-9-5-10-27-57)58-28-11-6-12-29-58)70-46-39-52-23-13-14-30-60(52)72(70)55-25-19-24-54(47-55)61-33-20-34-64-63-32-16-18-36-71(63)77-73(61)64/h4-49H,1-3H3.
What are the key properties of N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-[1-(3-dibenzofuran-4-ylphenyl)naphthalen-2-yl]-9,9-diphenylfluoren-3-amine?
N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-[1-(3-dibenzofuran-4-ylphenyl)naphthalen-2-yl]-9,9-diphenylfluoren-3-amine has a molecular weight of 986.27 g/mol, XLogP of 20.54, 9 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-(3-dibenzofuran-4-ylphenyl)naphthalen-2-yl]-9,9-diphenylfluoren-3-amine is sourced from PubChem (CID 168802401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).