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

C42H39N — CID 176764804

IUPACN,2-diphenyl-N-[2-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)phenyl]aniline
SMILESCC1(C)CCC(C)(C)c2cc3cc(-c4ccccc4N(c4ccccc4)c4ccccc4-c4ccccc4)ccc3cc21
InChIInChI=1S/C42H39N/c1-41(2)25-26-42(3,4)38-29-33-27-32(24-23-31(33)28-37(38)41)36-20-12-14-22-40(36)43(34-17-9-6-10-18-34)39-21-13-11-19-35(39)30-15-7-5-8-16-30/h5-24,27-29H,25-26H2,1-4H3
InChIKeyBGKDXAGAPGOUHY-UHFFFAOYSA-N
MW557.78 g/mol
LogP11.99
Rot. Bonds5

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

N,2-diphenyl-N-[2-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)phenyl]aniline (PubChem CID 176764804) has the molecular formula C42H39N and a molecular weight of 557.78 g/mol. Its IUPAC name is N,2-diphenyl-N-[2-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)phenyl]aniline.

Molecular Properties

Compound NameN,2-diphenyl-N-[2-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)phenyl]aniline
PubChem CID176764804
Molecular FormulaC42H39N
Molecular Weight557.78 g/mol
Exact Mass557.31
IUPAC NameN,2-diphenyl-N-[2-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)phenyl]aniline
SMILESCC1(C)CCC(C)(C)c2cc3cc(-c4ccccc4N(c4ccccc4)c4ccccc4-c4ccccc4)ccc3cc21
InChIInChI=1S/C42H39N/c1-41(2)25-26-42(3,4)38-29-33-27-32(24-23-31(33)28-37(38)41)36-20-12-14-22-40(36)43(34-17-9-6-10-18-34)39-21-13-11-19-35(39)30-15-7-5-8-16-30/h5-24,27-29H,25-26H2,1-4H3
InChIKeyBGKDXAGAPGOUHY-UHFFFAOYSA-N
XLogP11.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.78
LogP ≤ 511.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-phenyl-2-(4-phenylphenyl)-N-[2-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)phenyl]aniline
CID 176764700
2-phenyl-N-(2-phenylphenyl)-N-[2-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)phenyl]aniline
CID 176764732
4-phenyl-N-(4-phenylphenyl)-N-[4-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)phenyl]aniline
CID 176764772
1,1,4,4-tetramethyl-6-phenyl-2,3-dihydroanthracene
CID 10470919
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-(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
2,4-diphenyl-N-(4-phenylphenyl)-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]aniline
CID 167260671
N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-3-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-1-yl)aniline
CID 176764631
1-N-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-1-N-phenyl-4-N,4-N-bis(2-phenylphenyl)benzene-1,4-diamine
CID 176587601
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-naphthalen-2-yl-N-(4-phenylphenyl)aniline
CID 170134955
16-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166032610
N-[4-(3,5-diphenylphenyl)phenyl]-2,5-dinaphthalen-2-yl-N-(2-phenylphenyl)aniline
CID 167235492

Frequently Asked Questions

What is the IUPAC name of N,2-diphenyl-N-[2-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)phenyl]aniline?
The IUPAC name of N,2-diphenyl-N-[2-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)phenyl]aniline (CID 176764804) is N,2-diphenyl-N-[2-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)phenyl]aniline.
What is the SMILES notation for N,2-diphenyl-N-[2-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)phenyl]aniline?
The canonical SMILES for N,2-diphenyl-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)ccc3cc21.
What is the InChIKey of N,2-diphenyl-N-[2-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)phenyl]aniline?
The InChIKey is BGKDXAGAPGOUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H39N/c1-41(2)25-26-42(3,4)38-29-33-27-32(24-23-31(33)28-37(38)41)36-20-12-14-22-40(36)43(34-17-9-6-10-18-34)39-21-13-11-19-35(39)30-15-7-5-8-16-30/h5-24,27-29H,25-26H2,1-4H3.
What are the key properties of N,2-diphenyl-N-[2-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)phenyl]aniline?
N,2-diphenyl-N-[2-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)phenyl]aniline has a molecular weight of 557.78 g/mol, XLogP of 11.99, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diphenyl-N-[2-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)phenyl]aniline is sourced from PubChem (CID 176764804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).