1-[4-tert-butyl-6-(3-tert-butylphenyl)-2-pyridinyl]-8-(4-tert-butyl-2-pyridinyl)-3,6-diphenyl-9H-carbazole

C52H51N3 — CID 140902310

IUPAC1-[4-tert-butyl-6-(3-tert-butylphenyl)-2-pyridinyl]-8-(4-tert-butyl-2-pyridinyl)-3,6-diphenyl-9H-carbazole
SMILESCC(C)(C)c1cccc(-c2cc(C(C)(C)C)cc(-c3cc(-c4ccccc4)cc4c3[nH]c3c(-c5cc(C(C)(C)C)ccn5)cc(-c5ccccc5)cc34)n2)c1
InChIInChI=1S/C52H51N3/c1-50(2,3)38-22-16-21-35(25-38)45-31-40(52(7,8)9)32-47(54-45)44-29-37(34-19-14-11-15-20-34)27-42-41-26-36(33-17-12-10-13-18-33)28-43(48(41)55-49(42)44)46-30-39(23-24-53-46)51(4,5)6/h10-32,55H,1-9H3
InChIKeyDAJKQEHGVNLLIV-UHFFFAOYSA-N
MW718.00 g/mol
LogP14.34
Rot. Bonds5

About 1-[4-tert-butyl-6-(3-tert-butylphenyl)-2-pyridinyl]-8-(4-tert-butyl-2-pyridinyl)-3,6-diphenyl-9H-carbazole

1-[4-tert-butyl-6-(3-tert-butylphenyl)-2-pyridinyl]-8-(4-tert-butyl-2-pyridinyl)-3,6-diphenyl-9H-carbazole (PubChem CID 140902310) has the molecular formula C52H51N3 and a molecular weight of 718.00 g/mol. Its IUPAC name is 1-[4-tert-butyl-6-(3-tert-butylphenyl)-2-pyridinyl]-8-(4-tert-butyl-2-pyridinyl)-3,6-diphenyl-9H-carbazole.

Molecular Properties

Compound Name1-[4-tert-butyl-6-(3-tert-butylphenyl)-2-pyridinyl]-8-(4-tert-butyl-2-pyridinyl)-3,6-diphenyl-9H-carbazole
PubChem CID140902310
Molecular FormulaC52H51N3
Molecular Weight718.00 g/mol
Exact Mass717.41
IUPAC Name1-[4-tert-butyl-6-(3-tert-butylphenyl)-2-pyridinyl]-8-(4-tert-butyl-2-pyridinyl)-3,6-diphenyl-9H-carbazole
SMILESCC(C)(C)c1cccc(-c2cc(C(C)(C)C)cc(-c3cc(-c4ccccc4)cc4c3[nH]c3c(-c5cc(C(C)(C)C)ccn5)cc(-c5ccccc5)cc34)n2)c1
InChIInChI=1S/C52H51N3/c1-50(2,3)38-22-16-21-35(25-38)45-31-40(52(7,8)9)32-47(54-45)44-29-37(34-19-14-11-15-20-34)27-42-41-26-36(33-17-12-10-13-18-33)28-43(48(41)55-49(42)44)46-30-39(23-24-53-46)51(4,5)6/h10-32,55H,1-9H3
InChIKeyDAJKQEHGVNLLIV-UHFFFAOYSA-N
XLogP14.34
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.00
LogP ≤ 514.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-tert-butyl-6-(3-tert-butylphenyl)-2-pyridinyl]-3,6-diphenyl-8-(4-phenyl-2-pyridinyl)-9H-carbazole
CID 140902266
1-[4-tert-butyl-6-(3-tert-butylphenyl)-2-pyridinyl]-8-(4-tert-butyl-2-pyridinyl)-9H-carbazole
CID 140902425
17,22-ditert-butyl-4,12,27-triphenyl-8,29,31-triazaheptacyclo[23.3.1.115,19.120,24.02,7.06,10.09,14]hentriaconta-1(28),2,4,6,9,11,13,15,17,19(31),20,22,24(30),25(29),26-pentadecaene
CID 140933024
22-tert-butyl-4,12,17,27-tetraphenyl-8,29,30,31-tetrazaheptacyclo[23.3.1.115,19.120,24.02,7.06,10.09,14]hentriaconta-1(29),2,4,6,9,11,13,15(31),16,18,20(30),21,23,25,27-pentadecaene
CID 140932860
3,6-ditert-butyl-1-[4-(6-phenylnaphthalen-2-yl)-2-pyridinyl]-8-[4-phenyl-6-(3-phenylphenyl)-2-pyridinyl]-9H-carbazole
CID 140902359
4-tert-butyl-2-[3-(4-tert-butyl-2-pyridinyl)phenyl]-6-phenylpyridine
CID 170196288
4,12-ditert-butyl-22-phenyl-8,29,30,31-tetrazaheptacyclo[23.3.1.115,19.120,24.02,7.06,10.09,14]hentriaconta-1(29),2,4,6,9,11,13,15(31),16,18,20(30),21,23,25,27-pentadecaene
CID 140932974
3,6-ditert-butyl-1-(6-phenyl-2-pyridinyl)-8-pyridin-2-yl-9H-carbazole
CID 140902252
6-[3,6-ditert-butyl-8-[4-phenyl-6-(3-phenylphenyl)-2-pyridinyl]-9H-carbazol-1-yl]-4-phenylpyridine-3-carbonitrile
CID 140902238
3,6-ditert-butyl-1-[4-(3,5-ditert-butylphenyl)-6-[3-(2-pyridin-2-ylpropan-2-yl)phenyl]-2-pyridinyl]-9H-carbazole
CID 140854114
3,6-ditert-butyl-1-(6-phenyl-2-pyridinyl)-8-(6-phenylpyrimidin-4-yl)-9H-carbazole
CID 140902431
tris(4-tert-butyl-2-(3-phenylphenyl)pyridine);iridium(3+)
CID 161156371

Frequently Asked Questions

What is the IUPAC name of 1-[4-tert-butyl-6-(3-tert-butylphenyl)-2-pyridinyl]-8-(4-tert-butyl-2-pyridinyl)-3,6-diphenyl-9H-carbazole?
The IUPAC name of 1-[4-tert-butyl-6-(3-tert-butylphenyl)-2-pyridinyl]-8-(4-tert-butyl-2-pyridinyl)-3,6-diphenyl-9H-carbazole (CID 140902310) is 1-[4-tert-butyl-6-(3-tert-butylphenyl)-2-pyridinyl]-8-(4-tert-butyl-2-pyridinyl)-3,6-diphenyl-9H-carbazole.
What is the SMILES notation for 1-[4-tert-butyl-6-(3-tert-butylphenyl)-2-pyridinyl]-8-(4-tert-butyl-2-pyridinyl)-3,6-diphenyl-9H-carbazole?
The canonical SMILES for 1-[4-tert-butyl-6-(3-tert-butylphenyl)-2-pyridinyl]-8-(4-tert-butyl-2-pyridinyl)-3,6-diphenyl-9H-carbazole is CC(C)(C)c1cccc(-c2cc(C(C)(C)C)cc(-c3cc(-c4ccccc4)cc4c3[nH]c3c(-c5cc(C(C)(C)C)ccn5)cc(-c5ccccc5)cc34)n2)c1.
What is the InChIKey of 1-[4-tert-butyl-6-(3-tert-butylphenyl)-2-pyridinyl]-8-(4-tert-butyl-2-pyridinyl)-3,6-diphenyl-9H-carbazole?
The InChIKey is DAJKQEHGVNLLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H51N3/c1-50(2,3)38-22-16-21-35(25-38)45-31-40(52(7,8)9)32-47(54-45)44-29-37(34-19-14-11-15-20-34)27-42-41-26-36(33-17-12-10-13-18-33)28-43(48(41)55-49(42)44)46-30-39(23-24-53-46)51(4,5)6/h10-32,55H,1-9H3.
What are the key properties of 1-[4-tert-butyl-6-(3-tert-butylphenyl)-2-pyridinyl]-8-(4-tert-butyl-2-pyridinyl)-3,6-diphenyl-9H-carbazole?
1-[4-tert-butyl-6-(3-tert-butylphenyl)-2-pyridinyl]-8-(4-tert-butyl-2-pyridinyl)-3,6-diphenyl-9H-carbazole has a molecular weight of 718.00 g/mol, XLogP of 14.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-tert-butyl-6-(3-tert-butylphenyl)-2-pyridinyl]-8-(4-tert-butyl-2-pyridinyl)-3,6-diphenyl-9H-carbazole is sourced from PubChem (CID 140902310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).