N-[4-[4-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C50H45N — CID 176633242

IUPACN-[4-[4-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(C56CC7CC8C9CC(CC85)CC6C9C7)cc4)cc3)cc2)cc1
InChIInChI=1S/C50H45N/c1-3-7-35(8-4-1)38-13-21-42(22-14-38)51(43-23-15-39(16-24-43)36-9-5-2-6-10-36)44-25-17-40(18-26-44)37-11-19-41(20-12-37)50-32-34-28-46-45-27-33(30-48(46)50)31-49(50)47(45)29-34/h1-26,33-34,45-49H,27-32H2
InChIKeyCTTGARBROMOTIM-UHFFFAOYSA-N
MW659.92 g/mol
LogP13.12
Rot. Bonds7

About N-[4-[4-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

N-[4-[4-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 176633242) has the molecular formula C50H45N and a molecular weight of 659.92 g/mol. Its IUPAC name is N-[4-[4-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[4-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID176633242
Molecular FormulaC50H45N
Molecular Weight659.92 g/mol
Exact Mass659.36
IUPAC NameN-[4-[4-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(C56CC7CC8C9CC(CC85)CC6C9C7)cc4)cc3)cc2)cc1
InChIInChI=1S/C50H45N/c1-3-7-35(8-4-1)38-13-21-42(22-14-38)51(43-23-15-39(16-24-43)36-9-5-2-6-10-36)44-25-17-40(18-26-44)37-11-19-41(20-12-37)50-32-34-28-46-45-27-33(30-48(46)50)31-49(50)47(45)29-34/h1-26,33-34,45-49H,27-32H2
InChIKeyCTTGARBROMOTIM-UHFFFAOYSA-N
XLogP13.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.92
LogP ≤ 513.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine
CID 176633364
2-(4-naphthalen-2-ylphenyl)-4-[4-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)phenyl]-6-phenyl-1,3,5-triazine
CID 176633232
2-[3-[4-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)phenyl]-5-(2-phenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 176633361
N-[4-[6-[4-(1-adamantyl)phenyl]naphthalen-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 139352768
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
9-N-[4-(1-adamantyl)phenyl]-1-N,1-N-diphenyl-9-N-(4-phenylphenyl)dibenzofuran-1,9-diamine
CID 164843683
N-[4-(1-adamantyl)phenyl]-N-[4-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)phenyl]-4-(4-phenylphenyl)aniline
CID 170129620
N-[4-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)phenyl]-4-phenyl-N-[4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]phenyl]aniline
CID 155421805
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(3,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine
CID 130203842
2-N-[4-(1-adamantyl)phenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-(4-phenylphenyl)fluorene-2,7-diamine
CID 164768061
N-[4-[4-[N-[4-(1-adamantyl)phenyl]-4-(4-methylphenyl)anilino]phenyl]phenyl]-3,4-diphenyl-N-(4-phenylphenyl)aniline
CID 164768070
1-N,1-N,4-N-tris(4-phenylphenyl)-4-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]benzene-1,4-diamine
CID 89266505

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-[4-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 176633242) is N-[4-[4-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-[4-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-[4-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(C56CC7CC8C9CC(CC85)CC6C9C7)cc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[4-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is CTTGARBROMOTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H45N/c1-3-7-35(8-4-1)38-13-21-42(22-14-38)51(43-23-15-39(16-24-43)36-9-5-2-6-10-36)44-25-17-40(18-26-44)37-11-19-41(20-12-37)50-32-34-28-46-45-27-33(30-48(46)50)31-49(50)47(45)29-34/h1-26,33-34,45-49H,27-32H2.
What are the key properties of N-[4-[4-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
N-[4-[4-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 659.92 g/mol, XLogP of 13.12, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 176633242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).