4-phenyl-N-(4-phenylphenyl)-N-[4-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)phenyl]aniline

C48H43N — CID 176764772

IUPAC4-phenyl-N-(4-phenylphenyl)-N-[4-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)phenyl]aniline
SMILESCC1(C)CCC(C)(C)c2cc3cc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)ccc3cc21
InChIInChI=1S/C48H43N/c1-47(2)29-30-48(3,4)46-33-41-31-39(15-16-40(41)32-45(46)47)38-21-27-44(28-22-38)49(42-23-17-36(18-24-42)34-11-7-5-8-12-34)43-25-19-37(20-26-43)35-13-9-6-10-14-35/h5-28,31-33H,29-30H2,1-4H3
InChIKeyWKRGPPPZSCPKKA-UHFFFAOYSA-N
MW633.88 g/mol
LogP13.66
Rot. Bonds6

About 4-phenyl-N-(4-phenylphenyl)-N-[4-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)phenyl]aniline

4-phenyl-N-(4-phenylphenyl)-N-[4-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)phenyl]aniline (PubChem CID 176764772) has the molecular formula C48H43N and a molecular weight of 633.88 g/mol. Its IUPAC name is 4-phenyl-N-(4-phenylphenyl)-N-[4-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)phenyl]aniline.

Molecular Properties

Compound Name4-phenyl-N-(4-phenylphenyl)-N-[4-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)phenyl]aniline
PubChem CID176764772
Molecular FormulaC48H43N
Molecular Weight633.88 g/mol
Exact Mass633.34
IUPAC Name4-phenyl-N-(4-phenylphenyl)-N-[4-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)phenyl]aniline
SMILESCC1(C)CCC(C)(C)c2cc3cc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)ccc3cc21
InChIInChI=1S/C48H43N/c1-47(2)29-30-48(3,4)46-33-41-31-39(15-16-40(41)32-45(46)47)38-21-27-44(28-22-38)49(42-23-17-36(18-24-42)34-11-7-5-8-12-34)43-25-19-37(20-26-43)35-13-9-6-10-14-35/h5-28,31-33H,29-30H2,1-4H3
InChIKeyWKRGPPPZSCPKKA-UHFFFAOYSA-N
XLogP13.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.88
LogP ≤ 513.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,4,4-tetramethyl-6-phenyl-2,3-dihydroanthracene
CID 10470919
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-phenyl-2-(4-phenylphenyl)-N-[2-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)phenyl]aniline
CID 176764700
5,5,8,8-tetramethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydronaphthalen-2-amine
CID 171735917
N,2-diphenyl-N-[2-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)phenyl]aniline
CID 176764804
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
N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)aniline
CID 171735961
1,1,4,4-tetramethyl-6-(4-methylphenyl)-2,3-dihydroanthracene
CID 21477505
2-phenyl-N-(2-phenylphenyl)-N-[2-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)phenyl]aniline
CID 176764732
N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-3-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-1-yl)aniline
CID 176764631
N-(3,5-diphenylphenyl)-5,5,8,8-tetramethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-6,7-dihydronaphthalen-2-amine
CID 171735973
N,N-diphenyl-4-[8-[4-(N-phenylanilino)phenyl]tetracen-2-yl]aniline
CID 58900733

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-[4-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)phenyl]aniline?
The IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-[4-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)phenyl]aniline (CID 176764772) is 4-phenyl-N-(4-phenylphenyl)-N-[4-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)phenyl]aniline.
What is the SMILES notation for 4-phenyl-N-(4-phenylphenyl)-N-[4-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)phenyl]aniline?
The canonical SMILES for 4-phenyl-N-(4-phenylphenyl)-N-[4-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)phenyl]aniline is CC1(C)CCC(C)(C)c2cc3cc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)ccc3cc21.
What is the InChIKey of 4-phenyl-N-(4-phenylphenyl)-N-[4-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)phenyl]aniline?
The InChIKey is WKRGPPPZSCPKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H43N/c1-47(2)29-30-48(3,4)46-33-41-31-39(15-16-40(41)32-45(46)47)38-21-27-44(28-22-38)49(42-23-17-36(18-24-42)34-11-7-5-8-12-34)43-25-19-37(20-26-43)35-13-9-6-10-14-35/h5-28,31-33H,29-30H2,1-4H3.
What are the key properties of 4-phenyl-N-(4-phenylphenyl)-N-[4-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)phenyl]aniline?
4-phenyl-N-(4-phenylphenyl)-N-[4-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)phenyl]aniline has a molecular weight of 633.88 g/mol, XLogP of 13.66, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(4-phenylphenyl)-N-[4-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)phenyl]aniline is sourced from PubChem (CID 176764772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).