9-[6-[(6-carbazol-9-yl-2-pyridinyl)-bis(3,5-ditert-butylphenyl)methyl]-2-pyridinyl]carbazole

C63H64N4 — CID 140716189

IUPAC9-[6-[(6-carbazol-9-yl-2-pyridinyl)-bis(3,5-ditert-butylphenyl)methyl]-2-pyridinyl]carbazole
SMILESCC(C)(C)c1cc(C(C)(C)C)cc(C(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)(c2cccc(-n3c4ccccc4c4ccccc43)n2)c2cccc(-n3c4ccccc4c4ccccc43)n2)c1
InChIInChI=1S/C63H64N4/c1-59(2,3)41-35-42(60(4,5)6)38-45(37-41)63(46-39-43(61(7,8)9)36-44(40-46)62(10,11)12,55-31-21-33-57(64-55)66-51-27-17-13-23-47(51)48-24-14-18-28-52(48)66)56-32-22-34-58(65-56)67-53-29-19-15-25-49(53)50-26-16-20-30-54(50)67/h13-40H,1-12H3
InChIKeyBSCQYCDHHBAOLA-UHFFFAOYSA-N
MW877.23 g/mol
LogP16.24
Rot. Bonds6

About 9-[6-[(6-carbazol-9-yl-2-pyridinyl)-bis(3,5-ditert-butylphenyl)methyl]-2-pyridinyl]carbazole

9-[6-[(6-carbazol-9-yl-2-pyridinyl)-bis(3,5-ditert-butylphenyl)methyl]-2-pyridinyl]carbazole (PubChem CID 140716189) has the molecular formula C63H64N4 and a molecular weight of 877.23 g/mol. Its IUPAC name is 9-[6-[(6-carbazol-9-yl-2-pyridinyl)-bis(3,5-ditert-butylphenyl)methyl]-2-pyridinyl]carbazole.

Molecular Properties

Compound Name9-[6-[(6-carbazol-9-yl-2-pyridinyl)-bis(3,5-ditert-butylphenyl)methyl]-2-pyridinyl]carbazole
PubChem CID140716189
Molecular FormulaC63H64N4
Molecular Weight877.23 g/mol
Exact Mass876.51
IUPAC Name9-[6-[(6-carbazol-9-yl-2-pyridinyl)-bis(3,5-ditert-butylphenyl)methyl]-2-pyridinyl]carbazole
SMILESCC(C)(C)c1cc(C(C)(C)C)cc(C(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)(c2cccc(-n3c4ccccc4c4ccccc43)n2)c2cccc(-n3c4ccccc4c4ccccc43)n2)c1
InChIInChI=1S/C63H64N4/c1-59(2,3)41-35-42(60(4,5)6)38-45(37-41)63(46-39-43(61(7,8)9)36-44(40-46)62(10,11)12,55-31-21-33-57(64-55)66-51-27-17-13-23-47(51)48-24-14-18-28-52(48)66)56-32-22-34-58(65-56)67-53-29-19-15-25-49(53)50-26-16-20-30-54(50)67/h13-40H,1-12H3
InChIKeyBSCQYCDHHBAOLA-UHFFFAOYSA-N
XLogP16.24
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500877.23
LogP ≤ 516.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[6-[bis(3-tert-butylphenyl)-(6-carbazol-9-yl-2-pyridinyl)methyl]-2-pyridinyl]carbazole
CID 140715626
9-(4-tert-butyl-6-carbazol-9-yl-2-pyridinyl)carbazole
CID 155452447
9-(4-tert-butyl-2-pyridinyl)carbazole
CID 141429222
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
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
9,14-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
11-(6-carbazol-9-yl-2-pyridinyl)-1,11-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-2,4(12),5,7,9,13,15,17,19,21,23,25,27-tridecaene
CID 118330824
9-(6-carbazol-9-yl-2-pyridinyl)carbazole-3,6-dicarbonitrile
CID 118650226
5,7-bis(6-phenyl-2-pyridinyl)indolo[2,3-b]carbazole
CID 58038356
9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(2-tert-butylcarbazol-9-yl)-2-pyridinyl]-2-tert-butylcarbazole
CID 146393925
9-(6-methyl-2-pyridinyl)-3-phenylcarbazole
CID 144734478

Frequently Asked Questions

What is the IUPAC name of 9-[6-[(6-carbazol-9-yl-2-pyridinyl)-bis(3,5-ditert-butylphenyl)methyl]-2-pyridinyl]carbazole?
The IUPAC name of 9-[6-[(6-carbazol-9-yl-2-pyridinyl)-bis(3,5-ditert-butylphenyl)methyl]-2-pyridinyl]carbazole (CID 140716189) is 9-[6-[(6-carbazol-9-yl-2-pyridinyl)-bis(3,5-ditert-butylphenyl)methyl]-2-pyridinyl]carbazole.
What is the SMILES notation for 9-[6-[(6-carbazol-9-yl-2-pyridinyl)-bis(3,5-ditert-butylphenyl)methyl]-2-pyridinyl]carbazole?
The canonical SMILES for 9-[6-[(6-carbazol-9-yl-2-pyridinyl)-bis(3,5-ditert-butylphenyl)methyl]-2-pyridinyl]carbazole is CC(C)(C)c1cc(C(C)(C)C)cc(C(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)(c2cccc(-n3c4ccccc4c4ccccc43)n2)c2cccc(-n3c4ccccc4c4ccccc43)n2)c1.
What is the InChIKey of 9-[6-[(6-carbazol-9-yl-2-pyridinyl)-bis(3,5-ditert-butylphenyl)methyl]-2-pyridinyl]carbazole?
The InChIKey is BSCQYCDHHBAOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H64N4/c1-59(2,3)41-35-42(60(4,5)6)38-45(37-41)63(46-39-43(61(7,8)9)36-44(40-46)62(10,11)12,55-31-21-33-57(64-55)66-51-27-17-13-23-47(51)48-24-14-18-28-52(48)66)56-32-22-34-58(65-56)67-53-29-19-15-25-49(53)50-26-16-20-30-54(50)67/h13-40H,1-12H3.
What are the key properties of 9-[6-[(6-carbazol-9-yl-2-pyridinyl)-bis(3,5-ditert-butylphenyl)methyl]-2-pyridinyl]carbazole?
9-[6-[(6-carbazol-9-yl-2-pyridinyl)-bis(3,5-ditert-butylphenyl)methyl]-2-pyridinyl]carbazole has a molecular weight of 877.23 g/mol, XLogP of 16.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-[(6-carbazol-9-yl-2-pyridinyl)-bis(3,5-ditert-butylphenyl)methyl]-2-pyridinyl]carbazole is sourced from PubChem (CID 140716189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).