N-(2,3,4,5,6-pentadeuteriophenyl)-9-(4-phenylphenyl)-N-triphenylen-2-ylcarbazol-2-amine

C48H32N2 — CID 140910752

IUPACN-(2,3,4,5,6-pentadeuteriophenyl)-9-(4-phenylphenyl)-N-triphenylen-2-ylcarbazol-2-amine
SMILES[2H]c1c([2H])c([2H])c(N(c2ccc3c4ccccc4c4ccccc4c3c2)c2ccc3c4ccccc4n(-c4ccc(-c5ccccc5)cc4)c3c2)c([2H])c1[2H]
InChIInChI=1S/C48H32N2/c1-3-13-33(14-4-1)34-23-25-36(26-24-34)50-47-22-12-11-21-44(47)45-30-28-38(32-48(45)50)49(35-15-5-2-6-16-35)37-27-29-43-41-19-8-7-17-39(41)40-18-9-10-20-42(40)46(43)31-37/h1-32H/i2D,5D,6D,15D,16D
InChIKeyQFRJZJANKFVJRE-KLZHWEBPSA-N
MW641.83 g/mol
LogP13.38
Rot. Bonds5

About N-(2,3,4,5,6-pentadeuteriophenyl)-9-(4-phenylphenyl)-N-triphenylen-2-ylcarbazol-2-amine

N-(2,3,4,5,6-pentadeuteriophenyl)-9-(4-phenylphenyl)-N-triphenylen-2-ylcarbazol-2-amine (PubChem CID 140910752) has the molecular formula C48H32N2 and a molecular weight of 641.83 g/mol. Its IUPAC name is N-(2,3,4,5,6-pentadeuteriophenyl)-9-(4-phenylphenyl)-N-triphenylen-2-ylcarbazol-2-amine.

Molecular Properties

Compound NameN-(2,3,4,5,6-pentadeuteriophenyl)-9-(4-phenylphenyl)-N-triphenylen-2-ylcarbazol-2-amine
PubChem CID140910752
Molecular FormulaC48H32N2
Molecular Weight641.83 g/mol
Exact Mass641.29
IUPAC NameN-(2,3,4,5,6-pentadeuteriophenyl)-9-(4-phenylphenyl)-N-triphenylen-2-ylcarbazol-2-amine
SMILES[2H]c1c([2H])c([2H])c(N(c2ccc3c4ccccc4c4ccccc4c3c2)c2ccc3c4ccccc4n(-c4ccc(-c5ccccc5)cc4)c3c2)c([2H])c1[2H]
InChIInChI=1S/C48H32N2/c1-3-13-33(14-4-1)34-23-25-36(26-24-34)50-47-22-12-11-21-44(47)45-30-28-38(32-48(45)50)49(35-15-5-2-6-16-35)37-27-29-43-41-19-8-7-17-39(41)40-18-9-10-20-42(40)46(43)31-37/h1-32H/i2D,5D,6D,15D,16D
InChIKeyQFRJZJANKFVJRE-KLZHWEBPSA-N
XLogP13.38
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.83
LogP ≤ 513.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351080
9-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351084
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)triphenylen-2-amine
CID 138746953
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;9-phenyl-N-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-amine
CID 164988539
N-(4-carbazol-9-ylphenyl)-4-(4-phenylphenyl)-N-[4-(4-triphenylen-2-ylphenyl)phenyl]aniline
CID 146578481
N-[4-(3,5-diphenylphenyl)phenyl]-9-phenyl-N-(9-phenylcarbazol-2-yl)carbazol-2-amine
CID 70808585
4-phenyl-N-[4-[4-(2-phenylcarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121312854
2-carbazol-9-yl-9-[4-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]carbazole;N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-2-yl)anilino)phenyl]phenyl]carbazol-2-amine;9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 157469866
2,3,4,5,6-pentadeuterio-N-[4-[2-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]phenyl]-N-phenylaniline
CID 126628010
4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline;N,N,9-tris(4-phenylphenyl)carbazol-2-amine
CID 159022204
4-[6-(4-carbazol-9-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]-N,N-diphenylaniline;4-(6-carbazol-9-yl-9-triphenylen-2-ylcarbazol-3-yl)-N,N-diphenylaniline;4-[6-(3,6-diphenylcarbazol-9-yl)-9-triphenylen-2-ylcarbazol-3-yl]-N,N-diphenylaniline;N,N-diphenyl-4-[6-(3-phenylcarbazol-9-yl)-9-triphenylen-2-ylcarbazol-3-yl]aniline;6-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-9-triphenylen-2-ylcarbazol-3-amine
CID 169430011
9-phenyl-N-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-amine
CID 138747235

Frequently Asked Questions

What is the IUPAC name of N-(2,3,4,5,6-pentadeuteriophenyl)-9-(4-phenylphenyl)-N-triphenylen-2-ylcarbazol-2-amine?
The IUPAC name of N-(2,3,4,5,6-pentadeuteriophenyl)-9-(4-phenylphenyl)-N-triphenylen-2-ylcarbazol-2-amine (CID 140910752) is N-(2,3,4,5,6-pentadeuteriophenyl)-9-(4-phenylphenyl)-N-triphenylen-2-ylcarbazol-2-amine.
What is the SMILES notation for N-(2,3,4,5,6-pentadeuteriophenyl)-9-(4-phenylphenyl)-N-triphenylen-2-ylcarbazol-2-amine?
The canonical SMILES for N-(2,3,4,5,6-pentadeuteriophenyl)-9-(4-phenylphenyl)-N-triphenylen-2-ylcarbazol-2-amine is [2H]c1c([2H])c([2H])c(N(c2ccc3c4ccccc4c4ccccc4c3c2)c2ccc3c4ccccc4n(-c4ccc(-c5ccccc5)cc4)c3c2)c([2H])c1[2H].
What is the InChIKey of N-(2,3,4,5,6-pentadeuteriophenyl)-9-(4-phenylphenyl)-N-triphenylen-2-ylcarbazol-2-amine?
The InChIKey is QFRJZJANKFVJRE-KLZHWEBPSA-N. The full InChI is InChI=1S/C48H32N2/c1-3-13-33(14-4-1)34-23-25-36(26-24-34)50-47-22-12-11-21-44(47)45-30-28-38(32-48(45)50)49(35-15-5-2-6-16-35)37-27-29-43-41-19-8-7-17-39(41)40-18-9-10-20-42(40)46(43)31-37/h1-32H/i2D,5D,6D,15D,16D.
What are the key properties of N-(2,3,4,5,6-pentadeuteriophenyl)-9-(4-phenylphenyl)-N-triphenylen-2-ylcarbazol-2-amine?
N-(2,3,4,5,6-pentadeuteriophenyl)-9-(4-phenylphenyl)-N-triphenylen-2-ylcarbazol-2-amine has a molecular weight of 641.83 g/mol, XLogP of 13.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4,5,6-pentadeuteriophenyl)-9-(4-phenylphenyl)-N-triphenylen-2-ylcarbazol-2-amine is sourced from PubChem (CID 140910752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).