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

C54H47N3 — CID 140902266

IUPAC1-[4-tert-butyl-6-(3-tert-butylphenyl)-2-pyridinyl]-3,6-diphenyl-8-(4-phenyl-2-pyridinyl)-9H-carbazole
SMILESCC(C)(C)c1cccc(-c2cc(C(C)(C)C)cc(-c3cc(-c4ccccc4)cc4c3[nH]c3c(-c5cc(-c6ccccc6)ccn5)cc(-c5ccccc5)cc34)n2)c1
InChIInChI=1S/C54H47N3/c1-53(2,3)42-24-16-23-39(27-42)48-33-43(54(4,5)6)34-50(56-48)47-31-41(37-21-14-9-15-22-37)29-45-44-28-40(36-19-12-8-13-20-36)30-46(51(44)57-52(45)47)49-32-38(25-26-55-49)35-17-10-7-11-18-35/h7-34,57H,1-6H3
InChIKeyAYSQTIZRAHNSHB-UHFFFAOYSA-N
MW737.99 g/mol
LogP14.71
Rot. Bonds6

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

1-[4-tert-butyl-6-(3-tert-butylphenyl)-2-pyridinyl]-3,6-diphenyl-8-(4-phenyl-2-pyridinyl)-9H-carbazole (PubChem CID 140902266) has the molecular formula C54H47N3 and a molecular weight of 737.99 g/mol. Its IUPAC name is 1-[4-tert-butyl-6-(3-tert-butylphenyl)-2-pyridinyl]-3,6-diphenyl-8-(4-phenyl-2-pyridinyl)-9H-carbazole.

Molecular Properties

Compound Name1-[4-tert-butyl-6-(3-tert-butylphenyl)-2-pyridinyl]-3,6-diphenyl-8-(4-phenyl-2-pyridinyl)-9H-carbazole
PubChem CID140902266
Molecular FormulaC54H47N3
Molecular Weight737.99 g/mol
Exact Mass737.38
IUPAC Name1-[4-tert-butyl-6-(3-tert-butylphenyl)-2-pyridinyl]-3,6-diphenyl-8-(4-phenyl-2-pyridinyl)-9H-carbazole
SMILESCC(C)(C)c1cccc(-c2cc(C(C)(C)C)cc(-c3cc(-c4ccccc4)cc4c3[nH]c3c(-c5cc(-c6ccccc6)ccn5)cc(-c5ccccc5)cc34)n2)c1
InChIInChI=1S/C54H47N3/c1-53(2,3)42-24-16-23-39(27-42)48-33-43(54(4,5)6)34-50(56-48)47-31-41(37-21-14-9-15-22-37)29-45-44-28-40(36-19-12-8-13-20-36)30-46(51(44)57-52(45)47)49-32-38(25-26-55-49)35-17-10-7-11-18-35/h7-34,57H,1-6H3
InChIKeyAYSQTIZRAHNSHB-UHFFFAOYSA-N
XLogP14.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.99
LogP ≤ 514.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

1-[4-tert-butyl-6-(3-tert-butylphenyl)-2-pyridinyl]-8-(4-tert-butyl-2-pyridinyl)-3,6-diphenyl-9H-carbazole
CID 140902310
3,6-ditert-butyl-1-[4-(6-phenylnaphthalen-2-yl)-2-pyridinyl]-8-[4-phenyl-6-(3-phenylphenyl)-2-pyridinyl]-9H-carbazole
CID 140902359
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
6-[3,6-ditert-butyl-8-[4-phenyl-6-(3-phenylphenyl)-2-pyridinyl]-9H-carbazol-1-yl]-4-phenylpyridine-3-carbonitrile
CID 140902238
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
1-[4-phenyl-6-(3-phenylphenyl)-2-pyridinyl]-8-pyridin-2-yl-9H-carbazole
CID 140902230
3,6-ditert-butyl-1-(6-phenyl-2-pyridinyl)-8-pyridin-2-yl-9H-carbazole
CID 140902252
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
N-[3-[4-(3,5-ditert-butylphenyl)-6-(3,6-diphenyl-9H-carbazol-1-yl)-2-pyridinyl]phenyl]-N-naphthalen-1-ylpyridin-2-amine
CID 140854187
4-tert-butyl-2-[3-(4-tert-butyl-2-pyridinyl)phenyl]-6-phenylpyridine
CID 170196288

Frequently Asked Questions

What is the IUPAC name of 1-[4-tert-butyl-6-(3-tert-butylphenyl)-2-pyridinyl]-3,6-diphenyl-8-(4-phenyl-2-pyridinyl)-9H-carbazole?
The IUPAC name of 1-[4-tert-butyl-6-(3-tert-butylphenyl)-2-pyridinyl]-3,6-diphenyl-8-(4-phenyl-2-pyridinyl)-9H-carbazole (CID 140902266) is 1-[4-tert-butyl-6-(3-tert-butylphenyl)-2-pyridinyl]-3,6-diphenyl-8-(4-phenyl-2-pyridinyl)-9H-carbazole.
What is the SMILES notation for 1-[4-tert-butyl-6-(3-tert-butylphenyl)-2-pyridinyl]-3,6-diphenyl-8-(4-phenyl-2-pyridinyl)-9H-carbazole?
The canonical SMILES for 1-[4-tert-butyl-6-(3-tert-butylphenyl)-2-pyridinyl]-3,6-diphenyl-8-(4-phenyl-2-pyridinyl)-9H-carbazole is CC(C)(C)c1cccc(-c2cc(C(C)(C)C)cc(-c3cc(-c4ccccc4)cc4c3[nH]c3c(-c5cc(-c6ccccc6)ccn5)cc(-c5ccccc5)cc34)n2)c1.
What is the InChIKey of 1-[4-tert-butyl-6-(3-tert-butylphenyl)-2-pyridinyl]-3,6-diphenyl-8-(4-phenyl-2-pyridinyl)-9H-carbazole?
The InChIKey is AYSQTIZRAHNSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H47N3/c1-53(2,3)42-24-16-23-39(27-42)48-33-43(54(4,5)6)34-50(56-48)47-31-41(37-21-14-9-15-22-37)29-45-44-28-40(36-19-12-8-13-20-36)30-46(51(44)57-52(45)47)49-32-38(25-26-55-49)35-17-10-7-11-18-35/h7-34,57H,1-6H3.
What are the key properties of 1-[4-tert-butyl-6-(3-tert-butylphenyl)-2-pyridinyl]-3,6-diphenyl-8-(4-phenyl-2-pyridinyl)-9H-carbazole?
1-[4-tert-butyl-6-(3-tert-butylphenyl)-2-pyridinyl]-3,6-diphenyl-8-(4-phenyl-2-pyridinyl)-9H-carbazole has a molecular weight of 737.99 g/mol, XLogP of 14.71, 6 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]-3,6-diphenyl-8-(4-phenyl-2-pyridinyl)-9H-carbazole is sourced from PubChem (CID 140902266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).