N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-3-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-1-yl)aniline

C54H47N — CID 176764631

IUPACN-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-3-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-1-yl)aniline
SMILESCC1(C)CCC(C)(C)c2cc3c(-c4cccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6cccc(-c7ccccc7)c6)cc5)c4)cccc3cc21
InChIInChI=1S/C54H47N/c1-53(2)32-33-54(3,4)52-37-50-45(36-51(52)53)21-13-23-49(50)44-20-12-22-48(35-44)55(46-28-24-40(25-29-46)38-14-7-5-8-15-38)47-30-26-41(27-31-47)43-19-11-18-42(34-43)39-16-9-6-10-17-39/h5-31,34-37H,32-33H2,1-4H3
InChIKeyXPLZCQYXTGVBND-UHFFFAOYSA-N
MW709.98 g/mol
LogP15.33
Rot. Bonds7

About N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-3-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-1-yl)aniline

N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-3-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-1-yl)aniline (PubChem CID 176764631) has the molecular formula C54H47N and a molecular weight of 709.98 g/mol. Its IUPAC name is N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-3-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-1-yl)aniline.

Molecular Properties

Compound NameN-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-3-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-1-yl)aniline
PubChem CID176764631
Molecular FormulaC54H47N
Molecular Weight709.98 g/mol
Exact Mass709.37
IUPAC NameN-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-3-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-1-yl)aniline
SMILESCC1(C)CCC(C)(C)c2cc3c(-c4cccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6cccc(-c7ccccc7)c6)cc5)c4)cccc3cc21
InChIInChI=1S/C54H47N/c1-53(2)32-33-54(3,4)52-37-50-45(36-51(52)53)21-13-23-49(50)44-20-12-22-48(35-44)55(46-28-24-40(25-29-46)38-14-7-5-8-15-38)47-30-26-41(27-31-47)43-19-11-18-42(34-43)39-16-9-6-10-17-39/h5-31,34-37H,32-33H2,1-4H3
InChIKeyXPLZCQYXTGVBND-UHFFFAOYSA-N
XLogP15.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.98
LogP ≤ 515.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)aniline
CID 171735961
5,5,8,8-tetramethyl-N-phenyl-N-[4-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]phenyl]-6,7-dihydronaphthalen-2-amine
CID 171735963
5,5,8,8-tetramethyl-N-(2-phenylphenyl)-N-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]-6,7-dihydronaphthalen-2-amine
CID 170222776
N-(3,5-diphenylphenyl)-5,5,8,8-tetramethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-6,7-dihydronaphthalen-2-amine
CID 171735973
4-phenyl-N-(4-phenylphenyl)-N-[4-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)phenyl]aniline
CID 176764772
5,5,8,8-tetramethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydronaphthalen-2-amine
CID 171735917
4-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]aniline
CID 171735947
N-(3-naphthalen-1-ylphenyl)-N-phenyl-3-(3-phenylphenyl)aniline
CID 167323754
5,5,8,8-tetramethyl-N-naphthalen-1-yl-N-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]phenyl]-6,7-dihydronaphthalen-2-amine
CID 170223504
3-phenanthren-9-yl-N,N-bis(4-phenylphenyl)aniline;3-phenanthren-9-yl-N-phenyl-N-(4-phenylphenyl)aniline;N-(3-phenanthren-9-ylphenyl)-3-(3-phenylphenyl)-N-(4-phenylphenyl)aniline;3-phenanthren-9-yl-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 159059412
5,5,8,8-tetramethyl-N-phenyl-N-[4-[3-(N-phenylanilino)phenyl]phenyl]-6,7-dihydronaphthalen-1-amine
CID 170222900
4-phenyl-N-(4-phenylphenyl)-N-[4-[8-(3-phenylphenyl)naphthalen-2-yl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[8-(4-phenylphenyl)naphthalen-2-yl]phenyl]aniline
CID 158319710

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-3-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-1-yl)aniline?
The IUPAC name of N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-3-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-1-yl)aniline (CID 176764631) is N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-3-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-1-yl)aniline.
What is the SMILES notation for N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-3-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-1-yl)aniline?
The canonical SMILES for N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-3-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-1-yl)aniline is CC1(C)CCC(C)(C)c2cc3c(-c4cccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6cccc(-c7ccccc7)c6)cc5)c4)cccc3cc21.
What is the InChIKey of N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-3-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-1-yl)aniline?
The InChIKey is XPLZCQYXTGVBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H47N/c1-53(2)32-33-54(3,4)52-37-50-45(36-51(52)53)21-13-23-49(50)44-20-12-22-48(35-44)55(46-28-24-40(25-29-46)38-14-7-5-8-15-38)47-30-26-41(27-31-47)43-19-11-18-42(34-43)39-16-9-6-10-17-39/h5-31,34-37H,32-33H2,1-4H3.
What are the key properties of N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-3-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-1-yl)aniline?
N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-3-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-1-yl)aniline has a molecular weight of 709.98 g/mol, XLogP of 15.33, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-3-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-1-yl)aniline is sourced from PubChem (CID 176764631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).