N-(4-tert-butyl-2-phenylphenyl)-N-(3-chloro-5-methylphenyl)-9,9,10,10-tetramethylanthracen-2-amine

C41H42ClN — CID 167391415

IUPACN-(4-tert-butyl-2-phenylphenyl)-N-(3-chloro-5-methylphenyl)-9,9,10,10-tetramethylanthracen-2-amine
SMILESCc1cc(Cl)cc(N(c2ccc3c(c2)C(C)(C)c2ccccc2C3(C)C)c2ccc(C(C)(C)C)cc2-c2ccccc2)c1
InChIInChI=1S/C41H42ClN/c1-27-22-30(42)25-32(23-27)43(38-21-18-29(39(2,3)4)24-33(38)28-14-10-9-11-15-28)31-19-20-36-37(26-31)41(7,8)35-17-13-12-16-34(35)40(36,5)6/h9-26H,1-8H3
InChIKeyRPHHKCTWVVICAV-UHFFFAOYSA-N
MW584.25 g/mol
LogP12.05
Rot. Bonds4

About N-(4-tert-butyl-2-phenylphenyl)-N-(3-chloro-5-methylphenyl)-9,9,10,10-tetramethylanthracen-2-amine

N-(4-tert-butyl-2-phenylphenyl)-N-(3-chloro-5-methylphenyl)-9,9,10,10-tetramethylanthracen-2-amine (PubChem CID 167391415) has the molecular formula C41H42ClN and a molecular weight of 584.25 g/mol. Its IUPAC name is N-(4-tert-butyl-2-phenylphenyl)-N-(3-chloro-5-methylphenyl)-9,9,10,10-tetramethylanthracen-2-amine.

Molecular Properties

Compound NameN-(4-tert-butyl-2-phenylphenyl)-N-(3-chloro-5-methylphenyl)-9,9,10,10-tetramethylanthracen-2-amine
PubChem CID167391415
Molecular FormulaC41H42ClN
Molecular Weight584.25 g/mol
Exact Mass583.30
IUPAC NameN-(4-tert-butyl-2-phenylphenyl)-N-(3-chloro-5-methylphenyl)-9,9,10,10-tetramethylanthracen-2-amine
SMILESCc1cc(Cl)cc(N(c2ccc3c(c2)C(C)(C)c2ccccc2C3(C)C)c2ccc(C(C)(C)C)cc2-c2ccccc2)c1
InChIInChI=1S/C41H42ClN/c1-27-22-30(42)25-32(23-27)43(38-21-18-29(39(2,3)4)24-33(38)28-14-10-9-11-15-28)31-19-20-36-37(26-31)41(7,8)35-17-13-12-16-34(35)40(36,5)6/h9-26H,1-8H3
InChIKeyRPHHKCTWVVICAV-UHFFFAOYSA-N
XLogP12.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.25
LogP ≤ 512.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-N,1-N-bis(4-tert-butylphenyl)-3-N-(4-tert-butyl-2-phenylphenyl)-5-methyl-3-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzene-1,3-diamine
CID 166497789
3-N-(4-tert-butyl-2-phenylphenyl)-5-methyl-1-N,1-N-bis[4-(2-phenylpropan-2-yl)phenyl]-3-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzene-1,3-diamine
CID 167394680
5-chloro-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine
CID 121361263
10-benzhydrylidene-N-(4-tert-butyl-2-phenylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylanthracen-2-amine
CID 169284425
N-(4-tert-butylphenyl)-9,9,10,10-tetramethyl-N-phenylanthracen-2-amine
CID 167340397
2',7'-ditert-butyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 162363447
7-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-(2,4,6-trimethylphenyl)phenyl]fluoren-2-amine
CID 174308002
N-(4-tert-butyl-2-phenylphenyl)-2,3-dichloro-5-methyl-N-[4-(2-phenylpropan-2-yl)phenyl]aniline
CID 155119953
3-N-(4-tert-butyl-2-phenylphenyl)-5-chloro-3-N-phenyl-1-N-(2-phenylphenyl)benzene-1,3-diamine
CID 171616967
2',7'-ditert-butyl-N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 170141214
3-N-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-3-N-(3-tert-butylphenyl)-1-N,1-N-bis(4-tert-butylphenyl)-2-chloro-5-methylbenzene-1,3-diamine
CID 162423473
17-tert-butyl-N-(4-tert-butylphenyl)-N-(4-tert-butyl-2-phenylphenyl)-8,14-bis(9,9-dimethylfluoren-2-yl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-5-amine
CID 167515972

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-2-phenylphenyl)-N-(3-chloro-5-methylphenyl)-9,9,10,10-tetramethylanthracen-2-amine?
The IUPAC name of N-(4-tert-butyl-2-phenylphenyl)-N-(3-chloro-5-methylphenyl)-9,9,10,10-tetramethylanthracen-2-amine (CID 167391415) is N-(4-tert-butyl-2-phenylphenyl)-N-(3-chloro-5-methylphenyl)-9,9,10,10-tetramethylanthracen-2-amine.
What is the SMILES notation for N-(4-tert-butyl-2-phenylphenyl)-N-(3-chloro-5-methylphenyl)-9,9,10,10-tetramethylanthracen-2-amine?
The canonical SMILES for N-(4-tert-butyl-2-phenylphenyl)-N-(3-chloro-5-methylphenyl)-9,9,10,10-tetramethylanthracen-2-amine is Cc1cc(Cl)cc(N(c2ccc3c(c2)C(C)(C)c2ccccc2C3(C)C)c2ccc(C(C)(C)C)cc2-c2ccccc2)c1.
What is the InChIKey of N-(4-tert-butyl-2-phenylphenyl)-N-(3-chloro-5-methylphenyl)-9,9,10,10-tetramethylanthracen-2-amine?
The InChIKey is RPHHKCTWVVICAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H42ClN/c1-27-22-30(42)25-32(23-27)43(38-21-18-29(39(2,3)4)24-33(38)28-14-10-9-11-15-28)31-19-20-36-37(26-31)41(7,8)35-17-13-12-16-34(35)40(36,5)6/h9-26H,1-8H3.
What are the key properties of N-(4-tert-butyl-2-phenylphenyl)-N-(3-chloro-5-methylphenyl)-9,9,10,10-tetramethylanthracen-2-amine?
N-(4-tert-butyl-2-phenylphenyl)-N-(3-chloro-5-methylphenyl)-9,9,10,10-tetramethylanthracen-2-amine has a molecular weight of 584.25 g/mol, XLogP of 12.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-2-phenylphenyl)-N-(3-chloro-5-methylphenyl)-9,9,10,10-tetramethylanthracen-2-amine is sourced from PubChem (CID 167391415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).