N-(2,4-diphenylphenyl)-9,9-diphenyl-N-[1-(4-phenylphenyl)naphthalen-2-yl]fluoren-3-amine

C65H45N — CID 168802278

IUPACN-(2,4-diphenylphenyl)-9,9-diphenyl-N-[1-(4-phenylphenyl)naphthalen-2-yl]fluoren-3-amine
SMILESc1ccc(-c2ccc(-c3c(N(c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c4ccc(-c5ccccc5)cc4-c4ccccc4)ccc4ccccc34)cc2)cc1
InChIInChI=1S/C65H45N/c1-6-20-46(21-7-1)48-34-36-51(37-35-48)64-56-31-17-16-26-50(56)38-43-63(64)66(62-42-39-52(47-22-8-2-9-23-47)44-58(62)49-24-10-3-11-25-49)55-40-41-61-59(45-55)57-32-18-19-33-60(57)65(61,53-27-12-4-13-28-53)54-29-14-5-15-30-54/h1-45H
InChIKeyATMZAOBMXXMUMG-UHFFFAOYSA-N
MW840.08 g/mol
LogP17.34
Rot. Bonds9

About N-(2,4-diphenylphenyl)-9,9-diphenyl-N-[1-(4-phenylphenyl)naphthalen-2-yl]fluoren-3-amine

N-(2,4-diphenylphenyl)-9,9-diphenyl-N-[1-(4-phenylphenyl)naphthalen-2-yl]fluoren-3-amine (PubChem CID 168802278) has the molecular formula C65H45N and a molecular weight of 840.08 g/mol. Its IUPAC name is N-(2,4-diphenylphenyl)-9,9-diphenyl-N-[1-(4-phenylphenyl)naphthalen-2-yl]fluoren-3-amine.

Molecular Properties

Compound NameN-(2,4-diphenylphenyl)-9,9-diphenyl-N-[1-(4-phenylphenyl)naphthalen-2-yl]fluoren-3-amine
PubChem CID168802278
Molecular FormulaC65H45N
Molecular Weight840.08 g/mol
Exact Mass839.36
IUPAC NameN-(2,4-diphenylphenyl)-9,9-diphenyl-N-[1-(4-phenylphenyl)naphthalen-2-yl]fluoren-3-amine
SMILESc1ccc(-c2ccc(-c3c(N(c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c4ccc(-c5ccccc5)cc4-c4ccccc4)ccc4ccccc34)cc2)cc1
InChIInChI=1S/C65H45N/c1-6-20-46(21-7-1)48-34-36-51(37-35-48)64-56-31-17-16-26-50(56)38-43-63(64)66(62-42-39-52(47-22-8-2-9-23-47)44-58(62)49-24-10-3-11-25-49)55-40-41-61-59(45-55)57-32-18-19-33-60(57)65(61,53-27-12-4-13-28-53)54-29-14-5-15-30-54/h1-45H
InChIKeyATMZAOBMXXMUMG-UHFFFAOYSA-N
XLogP17.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500840.08
LogP ≤ 517.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,4-diphenylphenyl)-9,9-diphenyl-N-(1-phenylnaphthalen-2-yl)fluoren-2-amine
CID 166048535
N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-(1-dibenzofuran-3-ylnaphthalen-2-yl)-9,9-diphenylfluoren-3-amine
CID 168801967
N-(2,4-diphenylphenyl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-2-amine;N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 165015821
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2,4-diphenylphenyl)-9,9-diphenylfluoren-3-amine
CID 169062873
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-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(1-phenylnaphthalen-2-yl)fluoren-1-amine
CID 166048478
N-(1-phenylnaphthalen-2-yl)-N-[10-(4-phenylphenyl)anthracen-9-yl]-9,9'-spirobi[fluorene]-3-amine
CID 166048481
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2,4-diphenylphenyl)-9,9-diphenylfluoren-3-amine
CID 169065431
N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-[1-(3-dibenzofuran-4-ylphenyl)naphthalen-2-yl]-9,9-diphenylfluoren-3-amine
CID 168802401
9,9-diphenyl-N-(1-phenylnaphthalen-2-yl)-N-[3-(3-phenylphenyl)phenyl]fluoren-1-amine
CID 166048454
N,N-bis(4-phenanthren-3-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 142614757
N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-3-amine
CID 168802427

Frequently Asked Questions

What is the IUPAC name of N-(2,4-diphenylphenyl)-9,9-diphenyl-N-[1-(4-phenylphenyl)naphthalen-2-yl]fluoren-3-amine?
The IUPAC name of N-(2,4-diphenylphenyl)-9,9-diphenyl-N-[1-(4-phenylphenyl)naphthalen-2-yl]fluoren-3-amine (CID 168802278) is N-(2,4-diphenylphenyl)-9,9-diphenyl-N-[1-(4-phenylphenyl)naphthalen-2-yl]fluoren-3-amine.
What is the SMILES notation for N-(2,4-diphenylphenyl)-9,9-diphenyl-N-[1-(4-phenylphenyl)naphthalen-2-yl]fluoren-3-amine?
The canonical SMILES for N-(2,4-diphenylphenyl)-9,9-diphenyl-N-[1-(4-phenylphenyl)naphthalen-2-yl]fluoren-3-amine is c1ccc(-c2ccc(-c3c(N(c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c4ccc(-c5ccccc5)cc4-c4ccccc4)ccc4ccccc34)cc2)cc1.
What is the InChIKey of N-(2,4-diphenylphenyl)-9,9-diphenyl-N-[1-(4-phenylphenyl)naphthalen-2-yl]fluoren-3-amine?
The InChIKey is ATMZAOBMXXMUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H45N/c1-6-20-46(21-7-1)48-34-36-51(37-35-48)64-56-31-17-16-26-50(56)38-43-63(64)66(62-42-39-52(47-22-8-2-9-23-47)44-58(62)49-24-10-3-11-25-49)55-40-41-61-59(45-55)57-32-18-19-33-60(57)65(61,53-27-12-4-13-28-53)54-29-14-5-15-30-54/h1-45H.
What are the key properties of N-(2,4-diphenylphenyl)-9,9-diphenyl-N-[1-(4-phenylphenyl)naphthalen-2-yl]fluoren-3-amine?
N-(2,4-diphenylphenyl)-9,9-diphenyl-N-[1-(4-phenylphenyl)naphthalen-2-yl]fluoren-3-amine has a molecular weight of 840.08 g/mol, XLogP of 17.34, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-diphenylphenyl)-9,9-diphenyl-N-[1-(4-phenylphenyl)naphthalen-2-yl]fluoren-3-amine is sourced from PubChem (CID 168802278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).