N-[3-(3,5-diphenylphenyl)phenyl]-N-(4-fluoranthen-3-ylphenyl)-9-methyl-9-phenylfluoren-4-amine

C66H45N — CID 139499016

IUPACN-[3-(3,5-diphenylphenyl)phenyl]-N-(4-fluoranthen-3-ylphenyl)-9-methyl-9-phenylfluoren-4-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2c(N(c3ccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)cc3)c3cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3)cccc21
InChIInChI=1S/C66H45N/c1-66(51-23-9-4-10-24-51)61-31-14-13-28-60(61)65-62(66)32-17-33-63(65)67(52-36-34-46(35-37-52)54-38-39-59-56-27-12-11-26-55(56)58-30-16-29-57(54)64(58)59)53-25-15-22-47(43-53)50-41-48(44-18-5-2-6-19-44)40-49(42-50)45-20-7-3-8-21-45/h2-43H,1H3
InChIKeyFQCHHCPOOAASGC-UHFFFAOYSA-N
MW852.09 g/mol
LogP17.96
Rot. Bonds8

About N-[3-(3,5-diphenylphenyl)phenyl]-N-(4-fluoranthen-3-ylphenyl)-9-methyl-9-phenylfluoren-4-amine

N-[3-(3,5-diphenylphenyl)phenyl]-N-(4-fluoranthen-3-ylphenyl)-9-methyl-9-phenylfluoren-4-amine (PubChem CID 139499016) has the molecular formula C66H45N and a molecular weight of 852.09 g/mol. Its IUPAC name is N-[3-(3,5-diphenylphenyl)phenyl]-N-(4-fluoranthen-3-ylphenyl)-9-methyl-9-phenylfluoren-4-amine.

Molecular Properties

Compound NameN-[3-(3,5-diphenylphenyl)phenyl]-N-(4-fluoranthen-3-ylphenyl)-9-methyl-9-phenylfluoren-4-amine
PubChem CID139499016
Molecular FormulaC66H45N
Molecular Weight852.09 g/mol
Exact Mass851.36
IUPAC NameN-[3-(3,5-diphenylphenyl)phenyl]-N-(4-fluoranthen-3-ylphenyl)-9-methyl-9-phenylfluoren-4-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2c(N(c3ccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)cc3)c3cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3)cccc21
InChIInChI=1S/C66H45N/c1-66(51-23-9-4-10-24-51)61-31-14-13-28-60(61)65-62(66)32-17-33-63(65)67(52-36-34-46(35-37-52)54-38-39-59-56-27-12-11-26-55(56)58-30-16-29-57(54)64(58)59)53-25-15-22-47(43-53)50-41-48(44-18-5-2-6-19-44)40-49(42-50)45-20-7-3-8-21-45/h2-43H,1H3
InChIKeyFQCHHCPOOAASGC-UHFFFAOYSA-N
XLogP17.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500852.09
LogP ≤ 517.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3,5-diphenylphenyl)-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 118188510
9-methyl-N-(9-methyl-9-phenylfluoren-4-yl)-9-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 171453043
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169065112
9-methyl-N-(3-phenanthren-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-9-phenylfluoren-4-amine
CID 142614739
9-methyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-9-phenyl-N-[2-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 169020096
N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-3-(4-naphthalen-1-ylphenyl)-N-[3-(3-phenylphenyl)phenyl]aniline
CID 169020283
N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-3-(4-naphthalen-1-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 169019655
9-methyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9-phenylfluoren-4-amine
CID 169019683
9-methyl-N-(4-naphthalen-2-ylphenyl)-9-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 169019936
N-(9-methyl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 167177069
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019716
2-(9-methyl-9-phenylfluoren-2-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline
CID 171453726

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-diphenylphenyl)phenyl]-N-(4-fluoranthen-3-ylphenyl)-9-methyl-9-phenylfluoren-4-amine?
The IUPAC name of N-[3-(3,5-diphenylphenyl)phenyl]-N-(4-fluoranthen-3-ylphenyl)-9-methyl-9-phenylfluoren-4-amine (CID 139499016) is N-[3-(3,5-diphenylphenyl)phenyl]-N-(4-fluoranthen-3-ylphenyl)-9-methyl-9-phenylfluoren-4-amine.
What is the SMILES notation for N-[3-(3,5-diphenylphenyl)phenyl]-N-(4-fluoranthen-3-ylphenyl)-9-methyl-9-phenylfluoren-4-amine?
The canonical SMILES for N-[3-(3,5-diphenylphenyl)phenyl]-N-(4-fluoranthen-3-ylphenyl)-9-methyl-9-phenylfluoren-4-amine is CC1(c2ccccc2)c2ccccc2-c2c(N(c3ccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)cc3)c3cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3)cccc21.
What is the InChIKey of N-[3-(3,5-diphenylphenyl)phenyl]-N-(4-fluoranthen-3-ylphenyl)-9-methyl-9-phenylfluoren-4-amine?
The InChIKey is FQCHHCPOOAASGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H45N/c1-66(51-23-9-4-10-24-51)61-31-14-13-28-60(61)65-62(66)32-17-33-63(65)67(52-36-34-46(35-37-52)54-38-39-59-56-27-12-11-26-55(56)58-30-16-29-57(54)64(58)59)53-25-15-22-47(43-53)50-41-48(44-18-5-2-6-19-44)40-49(42-50)45-20-7-3-8-21-45/h2-43H,1H3.
What are the key properties of N-[3-(3,5-diphenylphenyl)phenyl]-N-(4-fluoranthen-3-ylphenyl)-9-methyl-9-phenylfluoren-4-amine?
N-[3-(3,5-diphenylphenyl)phenyl]-N-(4-fluoranthen-3-ylphenyl)-9-methyl-9-phenylfluoren-4-amine has a molecular weight of 852.09 g/mol, XLogP of 17.96, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-diphenylphenyl)phenyl]-N-(4-fluoranthen-3-ylphenyl)-9-methyl-9-phenylfluoren-4-amine is sourced from PubChem (CID 139499016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).