9-(4-tert-butyl-2-pyridinyl)-2-[[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-bis[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenyl]methyl]carbazole

C105H84N8 — CID 176645144

IUPAC9-(4-tert-butyl-2-pyridinyl)-2-[[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-bis[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenyl]methyl]carbazole
SMILESCC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(C(c4cccc(N5CN(c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc65)c4)(c4cccc(N5CN(c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc65)c4)c4ccc5c6ccccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)cc32)c1
InChIInChI=1S/C105H84N8/c1-103(2,3)75-59-61-106-99(67-75)112-91-49-21-19-43-87(91)89-57-55-79(65-97(89)112)105(80-56-58-90-88-44-20-22-50-92(88)113(98(90)66-80)100-68-76(60-62-107-100)104(4,5)6,77-39-27-41-81(63-77)108-69-110(95-53-25-23-51-93(95)108)101-83(71-31-11-7-12-32-71)45-29-46-84(101)72-33-13-8-14-34-72)78-40-28-42-82(64-78)109-70-111(96-54-26-24-52-94(96)109)102-85(73-35-15-9-16-36-73)47-30-48-86(102)74-37-17-10-18-38-74/h7-68H,69-70H2,1-6H3
InChIKeyCDZPDHUEVHRBCQ-UHFFFAOYSA-N
MW1457.88 g/mol
LogP26.81
Rot. Bonds14

About 9-(4-tert-butyl-2-pyridinyl)-2-[[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-bis[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenyl]methyl]carbazole

9-(4-tert-butyl-2-pyridinyl)-2-[[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-bis[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenyl]methyl]carbazole (PubChem CID 176645144) has the molecular formula C105H84N8 and a molecular weight of 1457.88 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-bis[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenyl]methyl]carbazole.

Molecular Properties

Compound Name9-(4-tert-butyl-2-pyridinyl)-2-[[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-bis[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenyl]methyl]carbazole
PubChem CID176645144
Molecular FormulaC105H84N8
Molecular Weight1457.88 g/mol
Exact Mass1456.68
IUPAC Name9-(4-tert-butyl-2-pyridinyl)-2-[[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-bis[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenyl]methyl]carbazole
SMILESCC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(C(c4cccc(N5CN(c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc65)c4)(c4cccc(N5CN(c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc65)c4)c4ccc5c6ccccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)cc32)c1
InChIInChI=1S/C105H84N8/c1-103(2,3)75-59-61-106-99(67-75)112-91-49-21-19-43-87(91)89-57-55-79(65-97(89)112)105(80-56-58-90-88-44-20-22-50-92(88)113(98(90)66-80)100-68-76(60-62-107-100)104(4,5)6,77-39-27-41-81(63-77)108-69-110(95-53-25-23-51-93(95)108)101-83(71-31-11-7-12-32-71)45-29-46-84(101)72-33-13-8-14-34-72)78-40-28-42-82(64-78)109-70-111(96-54-26-24-52-94(96)109)102-85(73-35-15-9-16-36-73)47-30-48-86(102)74-37-17-10-18-38-74/h7-68H,69-70H2,1-6H3
InChIKeyCDZPDHUEVHRBCQ-UHFFFAOYSA-N
XLogP26.81
TPSA48.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms113
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001457.88
LogP ≤ 526.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

9-(4-tert-butyl-2-pyridinyl)-2-[[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-diphenylmethyl]carbazole
CID 167399505
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
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
2-[diphenyl-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]methyl]-9-(4-methyl-2-pyridinyl)carbazole
CID 167399526
2-[[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenyl]-diphenylmethyl]-9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]carbazole
CID 169055773
[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenyl]-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-diphenylsilane
CID 155651075
2-[diphenyl-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]methyl]-9-(4-propan-2-yl-2-pyridinyl)carbazole
CID 167399451
2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-5-phenylcarbazole
CID 155652581
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-[1-(4-tert-butyl-2,6-diphenylphenyl)-2H-imidazo[4,5-c]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 176783962
9-(4-tert-butyl-2-pyridinyl)-2-[2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]propan-2-yl]carbazole
CID 167382027
2-[3-[6-tert-butyl-3-[4-tert-butyl-2-(3-tert-butylphenyl)-6-[4-(3-tert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 177082709

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-bis[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenyl]methyl]carbazole?
The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-bis[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenyl]methyl]carbazole (CID 176645144) is 9-(4-tert-butyl-2-pyridinyl)-2-[[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-bis[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenyl]methyl]carbazole.
What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-bis[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenyl]methyl]carbazole?
The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-bis[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenyl]methyl]carbazole is CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(C(c4cccc(N5CN(c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc65)c4)(c4cccc(N5CN(c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc65)c4)c4ccc5c6ccccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)cc32)c1.
What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-bis[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenyl]methyl]carbazole?
The InChIKey is CDZPDHUEVHRBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C105H84N8/c1-103(2,3)75-59-61-106-99(67-75)112-91-49-21-19-43-87(91)89-57-55-79(65-97(89)112)105(80-56-58-90-88-44-20-22-50-92(88)113(98(90)66-80)100-68-76(60-62-107-100)104(4,5)6,77-39-27-41-81(63-77)108-69-110(95-53-25-23-51-93(95)108)101-83(71-31-11-7-12-32-71)45-29-46-84(101)72-33-13-8-14-34-72)78-40-28-42-82(64-78)109-70-111(96-54-26-24-52-94(96)109)102-85(73-35-15-9-16-36-73)47-30-48-86(102)74-37-17-10-18-38-74/h7-68H,69-70H2,1-6H3.
What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-bis[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenyl]methyl]carbazole?
9-(4-tert-butyl-2-pyridinyl)-2-[[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-bis[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenyl]methyl]carbazole has a molecular weight of 1457.88 g/mol, XLogP of 26.81, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-tert-butyl-2-pyridinyl)-2-[[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-bis[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenyl]methyl]carbazole is sourced from PubChem (CID 176645144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).