9-[6-[bis(3-tert-butylphenyl)-(6-carbazol-9-yl-2-pyridinyl)methyl]-2-pyridinyl]carbazole

C55H48N4 — CID 140715626

IUPAC9-[6-[bis(3-tert-butylphenyl)-(6-carbazol-9-yl-2-pyridinyl)methyl]-2-pyridinyl]carbazole
SMILESCC(C)(C)c1cccc(C(c2cccc(C(C)(C)C)c2)(c2cccc(-n3c4ccccc4c4ccccc43)n2)c2cccc(-n3c4ccccc4c4ccccc43)n2)c1
InChIInChI=1S/C55H48N4/c1-53(2,3)37-19-15-21-39(35-37)55(40-22-16-20-38(36-40)54(4,5)6,49-31-17-33-51(56-49)58-45-27-11-7-23-41(45)42-24-8-12-28-46(42)58)50-32-18-34-52(57-50)59-47-29-13-9-25-43(47)44-26-10-14-30-48(44)59/h7-36H,1-6H3
InChIKeyAEJXBGMQTRXHSI-UHFFFAOYSA-N
MW765.02 g/mol
LogP13.65
Rot. Bonds6

About 9-[6-[bis(3-tert-butylphenyl)-(6-carbazol-9-yl-2-pyridinyl)methyl]-2-pyridinyl]carbazole

9-[6-[bis(3-tert-butylphenyl)-(6-carbazol-9-yl-2-pyridinyl)methyl]-2-pyridinyl]carbazole (PubChem CID 140715626) has the molecular formula C55H48N4 and a molecular weight of 765.02 g/mol. Its IUPAC name is 9-[6-[bis(3-tert-butylphenyl)-(6-carbazol-9-yl-2-pyridinyl)methyl]-2-pyridinyl]carbazole.

Molecular Properties

Compound Name9-[6-[bis(3-tert-butylphenyl)-(6-carbazol-9-yl-2-pyridinyl)methyl]-2-pyridinyl]carbazole
PubChem CID140715626
Molecular FormulaC55H48N4
Molecular Weight765.02 g/mol
Exact Mass764.39
IUPAC Name9-[6-[bis(3-tert-butylphenyl)-(6-carbazol-9-yl-2-pyridinyl)methyl]-2-pyridinyl]carbazole
SMILESCC(C)(C)c1cccc(C(c2cccc(C(C)(C)C)c2)(c2cccc(-n3c4ccccc4c4ccccc43)n2)c2cccc(-n3c4ccccc4c4ccccc43)n2)c1
InChIInChI=1S/C55H48N4/c1-53(2,3)37-19-15-21-39(35-37)55(40-22-16-20-38(36-40)54(4,5)6,49-31-17-33-51(56-49)58-45-27-11-7-23-41(45)42-24-8-12-28-46(42)58)50-32-18-34-52(57-50)59-47-29-13-9-25-43(47)44-26-10-14-30-48(44)59/h7-36H,1-6H3
InChIKeyAEJXBGMQTRXHSI-UHFFFAOYSA-N
XLogP13.65
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.02
LogP ≤ 513.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[6-[(6-carbazol-9-yl-2-pyridinyl)-bis(3,5-ditert-butylphenyl)methyl]-2-pyridinyl]carbazole
CID 140716189
9-(4-tert-butyl-6-carbazol-9-yl-2-pyridinyl)carbazole
CID 155452447
9-(4-tert-butyl-2-pyridinyl)carbazole
CID 141429222
bis(tert-butylbenzene);1-tert-butyl-4-phenylbenzene;2-tert-butyl-6-phenylpyridine;9-(5-tert-butyl-2-pyridinyl)carbazole;9-(6-tert-butyl-2-pyridinyl)carbazole
CID 158923617
9-[6-[3,6-bis(ethenyl)carbazol-9-yl]-2-pyridinyl]-3,6-ditert-butylcarbazole
CID 121245405
5-(3-carbazol-9-ylphenyl)-11-(6-carbazol-9-yl-2-pyridinyl)indolo[3,2-b]carbazole
CID 118458147
9-[6-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]carbazole
CID 118041251
3-tert-butyl-9-[4-(3-tert-butylphenyl)-6-carbazol-9-yl-1,3,5-triazin-2-yl]carbazole
CID 170669493
9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(2-tert-butylcarbazol-9-yl)-2-pyridinyl]-2-tert-butylcarbazole
CID 146393925
3-tert-butyl-9-[3-(3-carbazol-9-ylphenyl)phenyl]-6-tritylcarbazole
CID 142391271
9,14-bis(6-carbazol-9-yl-2-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 58038361
3,6-ditert-butyl-9-(3-carbazol-9-ylphenyl)carbazole
CID 59399108

Frequently Asked Questions

What is the IUPAC name of 9-[6-[bis(3-tert-butylphenyl)-(6-carbazol-9-yl-2-pyridinyl)methyl]-2-pyridinyl]carbazole?
The IUPAC name of 9-[6-[bis(3-tert-butylphenyl)-(6-carbazol-9-yl-2-pyridinyl)methyl]-2-pyridinyl]carbazole (CID 140715626) is 9-[6-[bis(3-tert-butylphenyl)-(6-carbazol-9-yl-2-pyridinyl)methyl]-2-pyridinyl]carbazole.
What is the SMILES notation for 9-[6-[bis(3-tert-butylphenyl)-(6-carbazol-9-yl-2-pyridinyl)methyl]-2-pyridinyl]carbazole?
The canonical SMILES for 9-[6-[bis(3-tert-butylphenyl)-(6-carbazol-9-yl-2-pyridinyl)methyl]-2-pyridinyl]carbazole is CC(C)(C)c1cccc(C(c2cccc(C(C)(C)C)c2)(c2cccc(-n3c4ccccc4c4ccccc43)n2)c2cccc(-n3c4ccccc4c4ccccc43)n2)c1.
What is the InChIKey of 9-[6-[bis(3-tert-butylphenyl)-(6-carbazol-9-yl-2-pyridinyl)methyl]-2-pyridinyl]carbazole?
The InChIKey is AEJXBGMQTRXHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H48N4/c1-53(2,3)37-19-15-21-39(35-37)55(40-22-16-20-38(36-40)54(4,5)6,49-31-17-33-51(56-49)58-45-27-11-7-23-41(45)42-24-8-12-28-46(42)58)50-32-18-34-52(57-50)59-47-29-13-9-25-43(47)44-26-10-14-30-48(44)59/h7-36H,1-6H3.
What are the key properties of 9-[6-[bis(3-tert-butylphenyl)-(6-carbazol-9-yl-2-pyridinyl)methyl]-2-pyridinyl]carbazole?
9-[6-[bis(3-tert-butylphenyl)-(6-carbazol-9-yl-2-pyridinyl)methyl]-2-pyridinyl]carbazole has a molecular weight of 765.02 g/mol, XLogP of 13.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-[bis(3-tert-butylphenyl)-(6-carbazol-9-yl-2-pyridinyl)methyl]-2-pyridinyl]carbazole is sourced from PubChem (CID 140715626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).