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

C48H43N — CID 176764732

IUPAC2-phenyl-N-(2-phenylphenyl)-N-[2-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)phenyl]aniline
SMILESCC1(C)CCC(C)(C)c2cc3cc(-c4ccccc4N(c4ccccc4-c4ccccc4)c4ccccc4-c4ccccc4)ccc3cc21
InChIInChI=1S/C48H43N/c1-47(2)29-30-48(3,4)43-33-38-31-37(28-27-36(38)32-42(43)47)41-23-13-16-26-46(41)49(44-24-14-11-21-39(44)34-17-7-5-8-18-34)45-25-15-12-22-40(45)35-19-9-6-10-20-35/h5-28,31-33H,29-30H2,1-4H3
InChIKeyIAVVIEYBFPKRED-UHFFFAOYSA-N
MW633.88 g/mol
LogP13.66
Rot. Bonds6

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

2-phenyl-N-(2-phenylphenyl)-N-[2-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)phenyl]aniline (PubChem CID 176764732) has the molecular formula C48H43N and a molecular weight of 633.88 g/mol. Its IUPAC name is 2-phenyl-N-(2-phenylphenyl)-N-[2-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)phenyl]aniline.

Molecular Properties

Compound Name2-phenyl-N-(2-phenylphenyl)-N-[2-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)phenyl]aniline
PubChem CID176764732
Molecular FormulaC48H43N
Molecular Weight633.88 g/mol
Exact Mass633.34
IUPAC Name2-phenyl-N-(2-phenylphenyl)-N-[2-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)phenyl]aniline
SMILESCC1(C)CCC(C)(C)c2cc3cc(-c4ccccc4N(c4ccccc4-c4ccccc4)c4ccccc4-c4ccccc4)ccc3cc21
InChIInChI=1S/C48H43N/c1-47(2)29-30-48(3,4)43-33-38-31-37(28-27-36(38)32-42(43)47)41-23-13-16-26-46(41)49(44-24-14-11-21-39(44)34-17-7-5-8-18-34)45-25-15-12-22-40(45)35-19-9-6-10-20-35/h5-28,31-33H,29-30H2,1-4H3
InChIKeyIAVVIEYBFPKRED-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

N,2-diphenyl-N-[2-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)phenyl]aniline
CID 176764804
N-phenyl-2-(4-phenylphenyl)-N-[2-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)phenyl]aniline
CID 176764700
1,1,4,4-tetramethyl-6-phenyl-2,3-dihydroanthracene
CID 10470919
4-phenyl-N-(4-phenylphenyl)-N-[4-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)phenyl]aniline
CID 176764772
N-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)-12,12-dimethyl-N-[2-(4-phenylphenyl)phenyl]pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine
CID 130290160
5,5,8,8-tetramethyl-N-(2-phenylphenyl)-N-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]-6,7-dihydronaphthalen-2-amine
CID 170222776
1,1,4,4-tetramethyl-6-(4-methylphenyl)-2,3-dihydroanthracene
CID 21477505
9-methyl-N-[2-(4-naphthalen-2-ylphenyl)phenyl]-9-phenyl-N-[2-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 169020477
2,4-diphenyl-N-(4-phenylphenyl)-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]aniline
CID 167260671
9,9-dimethyl-N,7-dinaphthalen-2-yl-N-(2-phenylphenyl)fluoren-2-amine
CID 121321537
N-(4-bromo-3-iodophenyl)-5,5,8,8-tetramethyl-N-(2-phenylphenyl)-6,7-dihydronaphthalen-2-amine
CID 176751677
N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-N-(2-phenylphenyl)anthracen-2-amine
CID 121321764

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(2-phenylphenyl)-N-[2-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)phenyl]aniline?
The IUPAC name of 2-phenyl-N-(2-phenylphenyl)-N-[2-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)phenyl]aniline (CID 176764732) is 2-phenyl-N-(2-phenylphenyl)-N-[2-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)phenyl]aniline.
What is the SMILES notation for 2-phenyl-N-(2-phenylphenyl)-N-[2-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)phenyl]aniline?
The canonical SMILES for 2-phenyl-N-(2-phenylphenyl)-N-[2-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)phenyl]aniline is CC1(C)CCC(C)(C)c2cc3cc(-c4ccccc4N(c4ccccc4-c4ccccc4)c4ccccc4-c4ccccc4)ccc3cc21.
What is the InChIKey of 2-phenyl-N-(2-phenylphenyl)-N-[2-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)phenyl]aniline?
The InChIKey is IAVVIEYBFPKRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H43N/c1-47(2)29-30-48(3,4)43-33-38-31-37(28-27-36(38)32-42(43)47)41-23-13-16-26-46(41)49(44-24-14-11-21-39(44)34-17-7-5-8-18-34)45-25-15-12-22-40(45)35-19-9-6-10-20-35/h5-28,31-33H,29-30H2,1-4H3.
What are the key properties of 2-phenyl-N-(2-phenylphenyl)-N-[2-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)phenyl]aniline?
2-phenyl-N-(2-phenylphenyl)-N-[2-(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 2-phenyl-N-(2-phenylphenyl)-N-[2-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)phenyl]aniline is sourced from PubChem (CID 176764732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).