N-[4-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline

C51H47N — CID 170567774

IUPACN-[4-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
SMILESCC1(C)c2cc(-c3ccccc3)c(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccccc4-c4ccccc4)cc3)cc2C(C)(C)C1(C)C
InChIInChI=1S/C51H47N/c1-49(2)46-34-44(39-22-14-9-15-23-39)45(35-47(46)50(3,4)51(49,5)6)40-28-32-42(33-29-40)52(41-30-26-37(27-31-41)36-18-10-7-11-19-36)48-25-17-16-24-43(48)38-20-12-8-13-21-38/h7-35H,1-6H3
InChIKeyZGXLIPLWVAJFDL-UHFFFAOYSA-N
MW673.94 g/mol
LogP14.42
Rot. Bonds7

About N-[4-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline

N-[4-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 170567774) has the molecular formula C51H47N and a molecular weight of 673.94 g/mol. Its IUPAC name is N-[4-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
PubChem CID170567774
Molecular FormulaC51H47N
Molecular Weight673.94 g/mol
Exact Mass673.37
IUPAC NameN-[4-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
SMILESCC1(C)c2cc(-c3ccccc3)c(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccccc4-c4ccccc4)cc3)cc2C(C)(C)C1(C)C
InChIInChI=1S/C51H47N/c1-49(2)46-34-44(39-22-14-9-15-23-39)45(35-47(46)50(3,4)51(49,5)6)40-28-32-42(33-29-40)52(41-30-26-37(27-31-41)36-18-10-7-11-19-36)48-25-17-16-24-43(48)38-20-12-8-13-21-38/h7-35H,1-6H3
InChIKeyZGXLIPLWVAJFDL-UHFFFAOYSA-N
XLogP14.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.94
LogP ≤ 514.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[4-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline with MolForge

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Related Compounds

2-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121387002
N-[4-(3,4-diphenylphenyl)phenyl]-N,2-bis(4-phenylphenyl)aniline
CID 164831679
N-[4-[3-(1,1,2,2,3,3-hexamethylinden-5-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 177084420
N-[4-[3,5-bis[4-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]-2-phenyl-N-(2-phenylphenyl)aniline
CID 87182000
9,9-dimethyl-1-phenyl-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-3-amine
CID 167196960
2-(9,9-dimethyl-1-phenylfluoren-3-yl)-N,N-bis(4-phenylphenyl)aniline
CID 167197240
N-[3-[6-(2-carbazol-9-ylphenyl)-1,1,2,2,3,3-hexamethylinden-5-yl]phenyl]-N,2-diphenylaniline
CID 177269833
7,7-dimethyl-N-(2-phenylphenyl)-N,5-bis(4-phenylphenyl)benzo[g]fluoren-9-amine
CID 121321506
10-N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-10-N-phenyl-2-N-(2-phenylphenyl)-2-N-(4-phenylphenyl)indeno[1,2-b]fluorene-2,10-diamine
CID 138462008
N-[4-(6-bromo-1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 177269868
3,4-diphenyl-N-(2-phenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254211
6,6,12,12-tetramethyl-7,9-diphenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine
CID 138455841

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline (CID 170567774) is N-[4-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline is CC1(C)c2cc(-c3ccccc3)c(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccccc4-c4ccccc4)cc3)cc2C(C)(C)C1(C)C.
What is the InChIKey of N-[4-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is ZGXLIPLWVAJFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H47N/c1-49(2)46-34-44(39-22-14-9-15-23-39)45(35-47(46)50(3,4)51(49,5)6)40-28-32-42(33-29-40)52(41-30-26-37(27-31-41)36-18-10-7-11-19-36)48-25-17-16-24-43(48)38-20-12-8-13-21-38/h7-35H,1-6H3.
What are the key properties of N-[4-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline?
N-[4-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 673.94 g/mol, XLogP of 14.42, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 170567774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).