N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-[3-(9,9-diphenylfluoren-3-yl)phenyl]quinolin-2-yl]phenyl]-4-phenylaniline

C76H50N2O — CID 170652868

IUPACN-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-[3-(9,9-diphenylfluoren-3-yl)phenyl]quinolin-2-yl]phenyl]-4-phenylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4nc5ccccc5cc4-c4cccc(-c5ccc6c(c5)-c5ccccc5C6(c5ccccc5)c5ccccc5)c4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C76H50N2O/c1-4-18-51(19-5-1)52-34-41-61(42-35-52)78(62-43-36-53(37-44-62)64-29-17-30-67-66-28-12-15-33-73(66)79-75(64)67)63-45-38-54(39-46-63)74-68(50-58-20-10-14-32-72(58)77-74)57-22-16-21-55(48-57)56-40-47-71-69(49-56)65-27-11-13-31-70(65)76(71,59-23-6-2-7-24-59)60-25-8-3-9-26-60/h1-50H
InChIKeyYGPIDGWJHKGBPV-UHFFFAOYSA-N
MW1007.25 g/mol
LogP20.30
Rot. Bonds10

About N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-[3-(9,9-diphenylfluoren-3-yl)phenyl]quinolin-2-yl]phenyl]-4-phenylaniline

N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-[3-(9,9-diphenylfluoren-3-yl)phenyl]quinolin-2-yl]phenyl]-4-phenylaniline (PubChem CID 170652868) has the molecular formula C76H50N2O and a molecular weight of 1007.25 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-[3-(9,9-diphenylfluoren-3-yl)phenyl]quinolin-2-yl]phenyl]-4-phenylaniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-[3-(9,9-diphenylfluoren-3-yl)phenyl]quinolin-2-yl]phenyl]-4-phenylaniline
PubChem CID170652868
Molecular FormulaC76H50N2O
Molecular Weight1007.25 g/mol
Exact Mass1006.39
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-[3-(9,9-diphenylfluoren-3-yl)phenyl]quinolin-2-yl]phenyl]-4-phenylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4nc5ccccc5cc4-c4cccc(-c5ccc6c(c5)-c5ccccc5C6(c5ccccc5)c5ccccc5)c4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C76H50N2O/c1-4-18-51(19-5-1)52-34-41-61(42-35-52)78(62-43-36-53(37-44-62)64-29-17-30-67-66-28-12-15-33-73(66)79-75(64)67)63-45-38-54(39-46-63)74-68(50-58-20-10-14-32-72(58)77-74)57-22-16-21-55(48-57)56-40-47-71-69(49-56)65-27-11-13-31-70(65)76(71,59-23-6-2-7-24-59)60-25-8-3-9-26-60/h1-50H
InChIKeyYGPIDGWJHKGBPV-UHFFFAOYSA-N
XLogP20.30
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001007.25
LogP ≤ 520.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-dibenzofuran-4-ylphenyl)-3-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-phenylaniline
CID 168839908
N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-naphthalen-2-ylfluoren-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 164769036
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)-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine
CID 142480664
N-(4-dibenzofuran-4-ylphenyl)-2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline
CID 168839801
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 121381438
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-3-(9,9-diphenylfluoren-3-yl)aniline
CID 121424769
9,9-diphenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine
CID 168805222
N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 164768992
N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[3-(2-phenylphenyl)phenyl]fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 161367411
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-2-(3-phenylphenyl)aniline
CID 121381288
N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-N,4-diphenylaniline
CID 164769137

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-[3-(9,9-diphenylfluoren-3-yl)phenyl]quinolin-2-yl]phenyl]-4-phenylaniline?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-[3-(9,9-diphenylfluoren-3-yl)phenyl]quinolin-2-yl]phenyl]-4-phenylaniline (CID 170652868) is N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-[3-(9,9-diphenylfluoren-3-yl)phenyl]quinolin-2-yl]phenyl]-4-phenylaniline.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-[3-(9,9-diphenylfluoren-3-yl)phenyl]quinolin-2-yl]phenyl]-4-phenylaniline?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-[3-(9,9-diphenylfluoren-3-yl)phenyl]quinolin-2-yl]phenyl]-4-phenylaniline is c1ccc(-c2ccc(N(c3ccc(-c4nc5ccccc5cc4-c4cccc(-c5ccc6c(c5)-c5ccccc5C6(c5ccccc5)c5ccccc5)c4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)cc1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-[3-(9,9-diphenylfluoren-3-yl)phenyl]quinolin-2-yl]phenyl]-4-phenylaniline?
The InChIKey is YGPIDGWJHKGBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H50N2O/c1-4-18-51(19-5-1)52-34-41-61(42-35-52)78(62-43-36-53(37-44-62)64-29-17-30-67-66-28-12-15-33-73(66)79-75(64)67)63-45-38-54(39-46-63)74-68(50-58-20-10-14-32-72(58)77-74)57-22-16-21-55(48-57)56-40-47-71-69(49-56)65-27-11-13-31-70(65)76(71,59-23-6-2-7-24-59)60-25-8-3-9-26-60/h1-50H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-[3-(9,9-diphenylfluoren-3-yl)phenyl]quinolin-2-yl]phenyl]-4-phenylaniline?
N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-[3-(9,9-diphenylfluoren-3-yl)phenyl]quinolin-2-yl]phenyl]-4-phenylaniline has a molecular weight of 1007.25 g/mol, XLogP of 20.30, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-[3-(9,9-diphenylfluoren-3-yl)phenyl]quinolin-2-yl]phenyl]-4-phenylaniline is sourced from PubChem (CID 170652868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).