3-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-[4-(1-tricyclo[3.3.1.03,7]nonanyl)phenyl]aniline

C63H52N2 — CID 155421593

IUPAC3-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-[4-(1-tricyclo[3.3.1.03,7]nonanyl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(N(c5ccc(C67CC8CC(C6)C(C8)C7)cc5)c5cccc(-c6ccccc6)c5)cc4)cc3)cc2)cc1
InChIInChI=1S/C63H52N2/c1-4-11-46(12-5-1)49-19-29-57(30-20-49)64(58-31-21-50(22-32-58)47-13-6-2-7-14-47)59-33-23-51(24-34-59)52-25-35-60(36-26-52)65(62-18-10-17-53(41-62)48-15-8-3-9-16-48)61-37-27-56(28-38-61)63-42-45-39-54(43-63)55(40-45)44-63/h1-38,41,45,54-55H,39-40,42-44H2
InChIKeyBLJWNEMGXLBXIH-UHFFFAOYSA-N
MW837.12 g/mol
LogP17.37
Rot. Bonds11

About 3-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-[4-(1-tricyclo[3.3.1.03,7]nonanyl)phenyl]aniline

3-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-[4-(1-tricyclo[3.3.1.03,7]nonanyl)phenyl]aniline (PubChem CID 155421593) has the molecular formula C63H52N2 and a molecular weight of 837.12 g/mol. Its IUPAC name is 3-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-[4-(1-tricyclo[3.3.1.03,7]nonanyl)phenyl]aniline.

Molecular Properties

Compound Name3-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-[4-(1-tricyclo[3.3.1.03,7]nonanyl)phenyl]aniline
PubChem CID155421593
Molecular FormulaC63H52N2
Molecular Weight837.12 g/mol
Exact Mass836.41
IUPAC Name3-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-[4-(1-tricyclo[3.3.1.03,7]nonanyl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(N(c5ccc(C67CC8CC(C6)C(C8)C7)cc5)c5cccc(-c6ccccc6)c5)cc4)cc3)cc2)cc1
InChIInChI=1S/C63H52N2/c1-4-11-46(12-5-1)49-19-29-57(30-20-49)64(58-31-21-50(22-32-58)47-13-6-2-7-14-47)59-33-23-51(24-34-59)52-25-35-60(36-26-52)65(62-18-10-17-53(41-62)48-15-8-3-9-16-48)61-37-27-56(28-38-61)63-42-45-39-54(43-63)55(40-45)44-63/h1-38,41,45,54-55H,39-40,42-44H2
InChIKeyBLJWNEMGXLBXIH-UHFFFAOYSA-N
XLogP17.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500837.12
LogP ≤ 517.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-[4-(1-tricyclo[3.3.1.03,7]nonanyl)phenyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[6-[4-(1-adamantyl)phenyl]naphthalen-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 139352768
2-N-[4-(1-adamantyl)phenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-(4-phenylphenyl)fluorene-2,7-diamine
CID 164768061
1-N-[4-(1-adamantyl)phenyl]-3-N-dibenzofuran-3-yl-3-N-phenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 155421754
N-[4-[4-[N-[4-(1-adamantyl)phenyl]-4-(4-methylphenyl)anilino]phenyl]phenyl]-3,4-diphenyl-N-(4-phenylphenyl)aniline
CID 164768070
2-N-[4-(1-adamantyl)phenyl]-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 164768059
N-[3-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 169028677
N-[4-[4-(1-adamantyl)phenyl]phenyl]-3-(9,9-dimethylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028364
9-N-[4-(1-adamantyl)phenyl]-1-N,1-N-diphenyl-9-N-(4-phenylphenyl)dibenzofuran-1,9-diamine
CID 164843683
N-[4-[4-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine
CID 155421602
N-[4-(1-adamantyl)phenyl]-N-(3-phenanthren-9-ylphenyl)-2,5-diphenylaniline
CID 177079809
N,3-diphenyl-N-[4-[4-(N-[4-[4-(N-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 22013506
N,3-diphenyl-N-[4-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 59090384

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-[4-(1-tricyclo[3.3.1.03,7]nonanyl)phenyl]aniline?
The IUPAC name of 3-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-[4-(1-tricyclo[3.3.1.03,7]nonanyl)phenyl]aniline (CID 155421593) is 3-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-[4-(1-tricyclo[3.3.1.03,7]nonanyl)phenyl]aniline.
What is the SMILES notation for 3-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-[4-(1-tricyclo[3.3.1.03,7]nonanyl)phenyl]aniline?
The canonical SMILES for 3-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-[4-(1-tricyclo[3.3.1.03,7]nonanyl)phenyl]aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(N(c5ccc(C67CC8CC(C6)C(C8)C7)cc5)c5cccc(-c6ccccc6)c5)cc4)cc3)cc2)cc1.
What is the InChIKey of 3-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-[4-(1-tricyclo[3.3.1.03,7]nonanyl)phenyl]aniline?
The InChIKey is BLJWNEMGXLBXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H52N2/c1-4-11-46(12-5-1)49-19-29-57(30-20-49)64(58-31-21-50(22-32-58)47-13-6-2-7-14-47)59-33-23-51(24-34-59)52-25-35-60(36-26-52)65(62-18-10-17-53(41-62)48-15-8-3-9-16-48)61-37-27-56(28-38-61)63-42-45-39-54(43-63)55(40-45)44-63/h1-38,41,45,54-55H,39-40,42-44H2.
What are the key properties of 3-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-[4-(1-tricyclo[3.3.1.03,7]nonanyl)phenyl]aniline?
3-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-[4-(1-tricyclo[3.3.1.03,7]nonanyl)phenyl]aniline has a molecular weight of 837.12 g/mol, XLogP of 17.37, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-[4-(1-tricyclo[3.3.1.03,7]nonanyl)phenyl]aniline is sourced from PubChem (CID 155421593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).