N-phenyl-9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]-N-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]carbazol-2-amine

C58H49N5 — CID 162696235

IUPACN-phenyl-9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]-N-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]carbazol-2-amine
SMILESc1ccc(N2CN(c3cccc(N(c4ccccc4)c4ccc5c6ccccc6n(-c6cc(C7(c8ccccc8)C8CC9CC(C8)CC7C9)ccn6)c5c4)c3)c3ccccc32)cc1
InChIInChI=1S/C58H49N5/c1-4-15-42(16-5-1)58(44-32-40-31-41(34-44)35-45(58)33-40)43-29-30-59-57(36-43)63-53-24-11-10-23-51(53)52-28-27-50(38-56(52)63)62(47-19-8-3-9-20-47)49-22-14-21-48(37-49)61-39-60(46-17-6-2-7-18-46)54-25-12-13-26-55(54)61/h1-30,36-38,40-41,44-45H,31-35,39H2
InChIKeyXIOMGMPZUSVICV-UHFFFAOYSA-N
MW816.07 g/mol
LogP14.64
Rot. Bonds8

About N-phenyl-9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]-N-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]carbazol-2-amine

N-phenyl-9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]-N-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]carbazol-2-amine (PubChem CID 162696235) has the molecular formula C58H49N5 and a molecular weight of 816.07 g/mol. Its IUPAC name is N-phenyl-9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]-N-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]carbazol-2-amine.

Molecular Properties

Compound NameN-phenyl-9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]-N-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]carbazol-2-amine
PubChem CID162696235
Molecular FormulaC58H49N5
Molecular Weight816.07 g/mol
Exact Mass815.40
IUPAC NameN-phenyl-9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]-N-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]carbazol-2-amine
SMILESc1ccc(N2CN(c3cccc(N(c4ccccc4)c4ccc5c6ccccc6n(-c6cc(C7(c8ccccc8)C8CC9CC(C8)CC7C9)ccn6)c5c4)c3)c3ccccc32)cc1
InChIInChI=1S/C58H49N5/c1-4-15-42(16-5-1)58(44-32-40-31-41(34-44)35-45(58)33-40)43-29-30-59-57(36-43)63-53-24-11-10-23-51(53)52-28-27-50(38-56(52)63)62(47-19-8-3-9-20-47)49-22-14-21-48(37-49)61-39-60(46-17-6-2-7-18-46)54-25-12-13-26-55(54)61/h1-30,36-38,40-41,44-45H,31-35,39H2
InChIKeyXIOMGMPZUSVICV-UHFFFAOYSA-N
XLogP14.64
TPSA27.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.07
LogP ≤ 514.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[3-(4-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]carbazole
CID 162696304
9-methyl-1-[9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]carbazol-2-yl]oxy-3-(3-phenyl-2H-benzimidazol-1-yl)carbazole
CID 162696222
9-[4-(2-methylphenyl)-2-pyridinyl]-N-phenyl-N-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]carbazol-2-amine
CID 177276738
N-phenyl-9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]-N-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum
CID 162696234
9-(4-methyl-2-pyridinyl)-N-phenyl-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]carbazol-2-amine
CID 167382297
N-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenyl]-9-[4-(1,1-diphenylethyl)-2-pyridinyl]-N-phenylcarbazol-2-amine
CID 158993975
2-[3-[3-(9,9-diphenylfluoren-2-yl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-[2-(4-methylphenyl)-2-adamantyl]-2-pyridinyl]carbazole
CID 162704363
9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-N-phenyl-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]carbazol-2-amine
CID 167382419
N-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenyl]-N-phenyl-6-(2-phenylpropan-2-yl)-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazol-2-amine
CID 161370511
2-[3-(3-methyl-2H-benzimidazol-1-yl)-5-phenylphenoxy]-9-[4-[2-(4-methylphenyl)-2-adamantyl]-2-pyridinyl]carbazole
CID 162696349
N-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenyl]-9-(4-tert-butyl-2-pyridinyl)-N-methylcarbazol-2-amine
CID 158436050
2-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-9-[4-(2-phenanthren-1-yl-2-adamantyl)-2-pyridinyl]carbazole
CID 162696377

Frequently Asked Questions

What is the IUPAC name of N-phenyl-9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]-N-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]carbazol-2-amine?
The IUPAC name of N-phenyl-9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]-N-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]carbazol-2-amine (CID 162696235) is N-phenyl-9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]-N-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]carbazol-2-amine.
What is the SMILES notation for N-phenyl-9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]-N-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]carbazol-2-amine?
The canonical SMILES for N-phenyl-9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]-N-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]carbazol-2-amine is c1ccc(N2CN(c3cccc(N(c4ccccc4)c4ccc5c6ccccc6n(-c6cc(C7(c8ccccc8)C8CC9CC(C8)CC7C9)ccn6)c5c4)c3)c3ccccc32)cc1.
What is the InChIKey of N-phenyl-9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]-N-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]carbazol-2-amine?
The InChIKey is XIOMGMPZUSVICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H49N5/c1-4-15-42(16-5-1)58(44-32-40-31-41(34-44)35-45(58)33-40)43-29-30-59-57(36-43)63-53-24-11-10-23-51(53)52-28-27-50(38-56(52)63)62(47-19-8-3-9-20-47)49-22-14-21-48(37-49)61-39-60(46-17-6-2-7-18-46)54-25-12-13-26-55(54)61/h1-30,36-38,40-41,44-45H,31-35,39H2.
What are the key properties of N-phenyl-9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]-N-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]carbazol-2-amine?
N-phenyl-9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]-N-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]carbazol-2-amine has a molecular weight of 816.07 g/mol, XLogP of 14.64, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]-N-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]carbazol-2-amine is sourced from PubChem (CID 162696235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).