N-(4-dibenzofuran-3-ylphenyl)-3-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline

C67H45NO — CID 168840154

IUPACN-(4-dibenzofuran-3-ylphenyl)-3-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3cccc(-c4ccc(-c5ccc6c(c5)-c5ccccc5C6(c5ccccc5)c5ccccc5)cc4)c3)cc2)cc1
InChIInChI=1S/C67H45NO/c1-4-15-46(16-5-1)47-31-37-56(38-32-47)68(57-39-33-50(34-40-57)53-35-41-61-60-24-11-13-26-65(60)69-66(61)45-53)58-22-14-17-51(43-58)48-27-29-49(30-28-48)52-36-42-64-62(44-52)59-23-10-12-25-63(59)67(64,54-18-6-2-7-19-54)55-20-8-3-9-21-55/h1-45H
InChIKeyUVZWEPOPBTYVQQ-UHFFFAOYSA-N
MW880.10 g/mol
LogP18.09
Rot. Bonds9

About N-(4-dibenzofuran-3-ylphenyl)-3-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline

N-(4-dibenzofuran-3-ylphenyl)-3-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 168840154) has the molecular formula C67H45NO and a molecular weight of 880.10 g/mol. Its IUPAC name is N-(4-dibenzofuran-3-ylphenyl)-3-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-3-ylphenyl)-3-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline
PubChem CID168840154
Molecular FormulaC67H45NO
Molecular Weight880.10 g/mol
Exact Mass879.35
IUPAC NameN-(4-dibenzofuran-3-ylphenyl)-3-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3cccc(-c4ccc(-c5ccc6c(c5)-c5ccccc5C6(c5ccccc5)c5ccccc5)cc4)c3)cc2)cc1
InChIInChI=1S/C67H45NO/c1-4-15-46(16-5-1)47-31-37-56(38-32-47)68(57-39-33-50(34-40-57)53-35-41-61-60-24-11-13-26-65(60)69-66(61)45-53)58-22-14-17-51(43-58)48-27-29-49(30-28-48)52-36-42-64-62(44-52)59-23-10-12-25-63(59)67(64,54-18-6-2-7-19-54)55-20-8-3-9-21-55/h1-45H
InChIKeyUVZWEPOPBTYVQQ-UHFFFAOYSA-N
XLogP18.09
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500880.10
LogP ≤ 518.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzofuran-3-ylphenyl)-4-(9,9-diphenylfluoren-3-yl)-N-phenylaniline
CID 168839753
N-(3-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-3-(4-phenylphenyl)aniline
CID 121381640
4-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-phenylaniline
CID 67964130
N-(3-dibenzofuran-4-ylphenyl)-3-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-phenylaniline
CID 168839908
N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 121425112
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-3-(9,9-diphenylfluoren-3-yl)aniline
CID 121424769
N-phenyl-3-[9-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]-N-(4-phenylphenyl)aniline
CID 163630205
N-(4-dibenzofuran-3-ylphenyl)-3-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 168839418
3-N-dibenzofuran-2-yl-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 155096723
N-(4-dibenzofuran-1-ylphenyl)-3-[6-(3,5-diphenylphenyl)-9,9-diphenylfluoren-3-yl]-N-phenylaniline
CID 156827028
N,7-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-3-amine;N,7-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-3-amine;N,7-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-3-amine;N,7-diphenyl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-3-amine
CID 163960848
N-(3-dibenzofuran-3-ylphenyl)-3-(9,9-diphenylfluoren-3-yl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)aniline
CID 177121900

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-3-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline?
The IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-3-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline (CID 168840154) is N-(4-dibenzofuran-3-ylphenyl)-3-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-(4-dibenzofuran-3-ylphenyl)-3-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-(4-dibenzofuran-3-ylphenyl)-3-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3cccc(-c4ccc(-c5ccc6c(c5)-c5ccccc5C6(c5ccccc5)c5ccccc5)cc4)c3)cc2)cc1.
What is the InChIKey of N-(4-dibenzofuran-3-ylphenyl)-3-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline?
The InChIKey is UVZWEPOPBTYVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H45NO/c1-4-15-46(16-5-1)47-31-37-56(38-32-47)68(57-39-33-50(34-40-57)53-35-41-61-60-24-11-13-26-65(60)69-66(61)45-53)58-22-14-17-51(43-58)48-27-29-49(30-28-48)52-36-42-64-62(44-52)59-23-10-12-25-63(59)67(64,54-18-6-2-7-19-54)55-20-8-3-9-21-55/h1-45H.
What are the key properties of N-(4-dibenzofuran-3-ylphenyl)-3-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline?
N-(4-dibenzofuran-3-ylphenyl)-3-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline has a molecular weight of 880.10 g/mol, XLogP of 18.09, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-3-ylphenyl)-3-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 168840154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).