9-(4-tert-butyl-2-pyridinyl)-N-[3-[3-(9,9-dimethyl-3-phenylfluoren-4-yl)-2H-benzimidazol-1-yl]phenyl]-N-phenylcarbazol-2-amine

C61H51N5 — CID 169065994

IUPAC9-(4-tert-butyl-2-pyridinyl)-N-[3-[3-(9,9-dimethyl-3-phenylfluoren-4-yl)-2H-benzimidazol-1-yl]phenyl]-N-phenylcarbazol-2-amine
SMILESCC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(N(c4ccccc4)c4cccc(N5CN(c6c(-c7ccccc7)ccc7c6-c6ccccc6C7(C)C)c6ccccc65)c4)cc32)c1
InChIInChI=1S/C61H51N5/c1-60(2,3)42-35-36-62-57(37-42)66-53-28-15-13-25-48(53)49-32-31-46(39-56(49)66)65(43-21-10-7-11-22-43)45-24-18-23-44(38-45)63-40-64(55-30-17-16-29-54(55)63)59-47(41-19-8-6-9-20-41)33-34-52-58(59)50-26-12-14-27-51(50)61(52,4)5/h6-39H,40H2,1-5H3
InChIKeyMTWYZVWZRVVDCX-UHFFFAOYSA-N
MW854.11 g/mol
LogP16.17
Rot. Bonds7

About 9-(4-tert-butyl-2-pyridinyl)-N-[3-[3-(9,9-dimethyl-3-phenylfluoren-4-yl)-2H-benzimidazol-1-yl]phenyl]-N-phenylcarbazol-2-amine

9-(4-tert-butyl-2-pyridinyl)-N-[3-[3-(9,9-dimethyl-3-phenylfluoren-4-yl)-2H-benzimidazol-1-yl]phenyl]-N-phenylcarbazol-2-amine (PubChem CID 169065994) has the molecular formula C61H51N5 and a molecular weight of 854.11 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-N-[3-[3-(9,9-dimethyl-3-phenylfluoren-4-yl)-2H-benzimidazol-1-yl]phenyl]-N-phenylcarbazol-2-amine.

Molecular Properties

Compound Name9-(4-tert-butyl-2-pyridinyl)-N-[3-[3-(9,9-dimethyl-3-phenylfluoren-4-yl)-2H-benzimidazol-1-yl]phenyl]-N-phenylcarbazol-2-amine
PubChem CID169065994
Molecular FormulaC61H51N5
Molecular Weight854.11 g/mol
Exact Mass853.41
IUPAC Name9-(4-tert-butyl-2-pyridinyl)-N-[3-[3-(9,9-dimethyl-3-phenylfluoren-4-yl)-2H-benzimidazol-1-yl]phenyl]-N-phenylcarbazol-2-amine
SMILESCC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(N(c4ccccc4)c4cccc(N5CN(c6c(-c7ccccc7)ccc7c6-c6ccccc6C7(C)C)c6ccccc65)c4)cc32)c1
InChIInChI=1S/C61H51N5/c1-60(2,3)42-35-36-62-57(37-42)66-53-28-15-13-25-48(53)49-32-31-46(39-56(49)66)65(43-21-10-7-11-22-43)45-24-18-23-44(38-45)63-40-64(55-30-17-16-29-54(55)63)59-47(41-19-8-6-9-20-41)33-34-52-58(59)50-26-12-14-27-51(50)61(52,4)5/h6-39H,40H2,1-5H3
InChIKeyMTWYZVWZRVVDCX-UHFFFAOYSA-N
XLogP16.17
TPSA27.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500854.11
LogP ≤ 516.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-(4-tert-butyl-2-pyridinyl)-N-[3-[3-(9,9-dimethyl-3-phenylfluoren-4-yl)-2H-benzimidazol-1-yl]phenyl]-N-phenylcarbazol-2-amine with MolForge

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Related Compounds

2-[3-[3-[3-(3-tert-butyl-5-phenylphenyl)-9,9-dimethylfluoren-4-yl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 169065966
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(9,9-dimethyl-3-phenylfluoren-4-yl)-2H-benzimidazol-1-yl]-5-pyridin-4-ylphenoxy]carbazole
CID 169065932
9-[4-(2-methylphenyl)-2-pyridinyl]-N-phenyl-N-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]carbazol-2-amine
CID 177276738
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-1-yl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 169065936
2-[3-[3-[4-[2-tert-butyl-9-(4-tert-butylphenyl)fluoren-9-yl]-2,6-diphenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 172545696
9-(4-methyl-2-pyridinyl)-N-phenyl-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]carbazol-2-amine
CID 167382297
3-[3-[3-[2,6-bis(2-phenylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-5-(4-tert-butyl-2-pyridinyl)-7-phenylindolo[2,3-b]carbazole
CID 170677073
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 177303457
11-[3-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-benzimidazol-1-yl]-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 169294245
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(9,9-dimethyl-3-phenylfluoren-4-yl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
CID 169066090
9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-N-phenyl-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]carbazol-2-amine
CID 167382419
2-[2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-1-yl]phenyl]propan-2-yl]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155651337

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-N-[3-[3-(9,9-dimethyl-3-phenylfluoren-4-yl)-2H-benzimidazol-1-yl]phenyl]-N-phenylcarbazol-2-amine?
The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-N-[3-[3-(9,9-dimethyl-3-phenylfluoren-4-yl)-2H-benzimidazol-1-yl]phenyl]-N-phenylcarbazol-2-amine (CID 169065994) is 9-(4-tert-butyl-2-pyridinyl)-N-[3-[3-(9,9-dimethyl-3-phenylfluoren-4-yl)-2H-benzimidazol-1-yl]phenyl]-N-phenylcarbazol-2-amine.
What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-N-[3-[3-(9,9-dimethyl-3-phenylfluoren-4-yl)-2H-benzimidazol-1-yl]phenyl]-N-phenylcarbazol-2-amine?
The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-N-[3-[3-(9,9-dimethyl-3-phenylfluoren-4-yl)-2H-benzimidazol-1-yl]phenyl]-N-phenylcarbazol-2-amine is CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(N(c4ccccc4)c4cccc(N5CN(c6c(-c7ccccc7)ccc7c6-c6ccccc6C7(C)C)c6ccccc65)c4)cc32)c1.
What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-N-[3-[3-(9,9-dimethyl-3-phenylfluoren-4-yl)-2H-benzimidazol-1-yl]phenyl]-N-phenylcarbazol-2-amine?
The InChIKey is MTWYZVWZRVVDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H51N5/c1-60(2,3)42-35-36-62-57(37-42)66-53-28-15-13-25-48(53)49-32-31-46(39-56(49)66)65(43-21-10-7-11-22-43)45-24-18-23-44(38-45)63-40-64(55-30-17-16-29-54(55)63)59-47(41-19-8-6-9-20-41)33-34-52-58(59)50-26-12-14-27-51(50)61(52,4)5/h6-39H,40H2,1-5H3.
What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-N-[3-[3-(9,9-dimethyl-3-phenylfluoren-4-yl)-2H-benzimidazol-1-yl]phenyl]-N-phenylcarbazol-2-amine?
9-(4-tert-butyl-2-pyridinyl)-N-[3-[3-(9,9-dimethyl-3-phenylfluoren-4-yl)-2H-benzimidazol-1-yl]phenyl]-N-phenylcarbazol-2-amine has a molecular weight of 854.11 g/mol, XLogP of 16.17, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-tert-butyl-2-pyridinyl)-N-[3-[3-(9,9-dimethyl-3-phenylfluoren-4-yl)-2H-benzimidazol-1-yl]phenyl]-N-phenylcarbazol-2-amine is sourced from PubChem (CID 169065994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).