9,9-diphenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine

C67H45NO — CID 168805222

IUPAC9,9-diphenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine
SMILESc1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5ccc6oc7c(-c8ccccc8)cccc7c6c5)cc4)c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)cc3)c2)cc1
InChIInChI=1S/C67H45NO/c1-5-17-46(18-6-1)50-21-15-22-51(43-50)47-31-36-55(37-32-47)68(56-38-33-48(34-39-56)52-35-42-65-62(44-52)60-29-16-28-58(66(60)69-65)49-19-7-2-8-20-49)57-40-41-64-61(45-57)59-27-13-14-30-63(59)67(64,53-23-9-3-10-24-53)54-25-11-4-12-26-54/h1-45H
InChIKeyYLJVSQFPRWDOTM-UHFFFAOYSA-N
MW880.10 g/mol
LogP18.09
Rot. Bonds9

About 9,9-diphenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine

9,9-diphenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine (PubChem CID 168805222) has the molecular formula C67H45NO and a molecular weight of 880.10 g/mol. Its IUPAC name is 9,9-diphenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine.

Molecular Properties

Compound Name9,9-diphenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine
PubChem CID168805222
Molecular FormulaC67H45NO
Molecular Weight880.10 g/mol
Exact Mass879.35
IUPAC Name9,9-diphenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine
SMILESc1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5ccc6oc7c(-c8ccccc8)cccc7c6c5)cc4)c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)cc3)c2)cc1
InChIInChI=1S/C67H45NO/c1-5-17-46(18-6-1)50-21-15-22-51(43-50)47-31-36-55(37-32-47)68(56-38-33-48(34-39-56)52-35-42-65-62(44-52)60-29-16-28-58(66(60)69-65)49-19-7-2-8-20-49)57-40-41-64-61(45-57)59-27-13-14-30-63(59)67(64,53-23-9-3-10-24-53)54-25-11-4-12-26-54/h1-45H
InChIKeyYLJVSQFPRWDOTM-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-(3-dibenzofuran-2-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 121425114
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-3-(9,9-diphenylfluoren-3-yl)aniline
CID 121424769
N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine
CID 142480664
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 157370193
N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 121425112
3-dibenzofuran-4-yl-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 121381580
7-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine
CID 121424802
5-(4-dibenzofuran-4-ylphenyl)-1-N,3-N-bis(9,9-diphenylfluoren-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 122552040
N-(3-dibenzofuran-4-ylphenyl)-3-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-phenylaniline
CID 168839908
N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-3-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-3-amine
CID 159860584
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 121381438
N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 164768992

Frequently Asked Questions

What is the IUPAC name of 9,9-diphenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine?
The IUPAC name of 9,9-diphenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine (CID 168805222) is 9,9-diphenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine.
What is the SMILES notation for 9,9-diphenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine?
The canonical SMILES for 9,9-diphenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine is c1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5ccc6oc7c(-c8ccccc8)cccc7c6c5)cc4)c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)cc3)c2)cc1.
What is the InChIKey of 9,9-diphenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine?
The InChIKey is YLJVSQFPRWDOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H45NO/c1-5-17-46(18-6-1)50-21-15-22-51(43-50)47-31-36-55(37-32-47)68(56-38-33-48(34-39-56)52-35-42-65-62(44-52)60-29-16-28-58(66(60)69-65)49-19-7-2-8-20-49)57-40-41-64-61(45-57)59-27-13-14-30-63(59)67(64,53-23-9-3-10-24-53)54-25-11-4-12-26-54/h1-45H.
What are the key properties of 9,9-diphenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine?
9,9-diphenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine 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 9,9-diphenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine is sourced from PubChem (CID 168805222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).