1-[6-[5-[6-[2,3-bis(4-tert-butylphenyl)indol-1-yl]naphthalen-2-yl]-2-pyridinyl]naphthalen-2-yl]-2,3-bis(4-tert-butylphenyl)indole

C81H75N3 — CID 138579631

IUPAC1-[6-[5-[6-[2,3-bis(4-tert-butylphenyl)indol-1-yl]naphthalen-2-yl]-2-pyridinyl]naphthalen-2-yl]-2,3-bis(4-tert-butylphenyl)indole
SMILESCC(C)(C)c1ccc(-c2c(-c3ccc(C(C)(C)C)cc3)n(-c3ccc4cc(-c5ccc(-c6ccc7cc(-n8c(-c9ccc(C(C)(C)C)cc9)c(-c9ccc(C(C)(C)C)cc9)c9ccccc98)ccc7c6)nc5)ccc4c3)c3ccccc23)cc1
InChIInChI=1S/C81H75N3/c1-78(2,3)63-36-25-52(26-37-63)74-69-17-13-15-19-72(69)83(76(74)54-29-40-65(41-30-54)80(7,8)9)67-44-33-56-47-58(21-22-59(56)49-67)62-35-46-71(82-51-62)61-24-23-60-50-68(45-34-57(60)48-61)84-73-20-16-14-18-70(73)75(53-27-38-64(39-28-53)79(4,5)6)77(84)55-31-42-66(43-32-55)81(10,11)12/h13-51H,1-12H3
InChIKeyPQTQUIHEBBXDSI-UHFFFAOYSA-N
MW1090.51 g/mol
LogP22.47
Rot. Bonds8

About 1-[6-[5-[6-[2,3-bis(4-tert-butylphenyl)indol-1-yl]naphthalen-2-yl]-2-pyridinyl]naphthalen-2-yl]-2,3-bis(4-tert-butylphenyl)indole

1-[6-[5-[6-[2,3-bis(4-tert-butylphenyl)indol-1-yl]naphthalen-2-yl]-2-pyridinyl]naphthalen-2-yl]-2,3-bis(4-tert-butylphenyl)indole (PubChem CID 138579631) has the molecular formula C81H75N3 and a molecular weight of 1090.51 g/mol. Its IUPAC name is 1-[6-[5-[6-[2,3-bis(4-tert-butylphenyl)indol-1-yl]naphthalen-2-yl]-2-pyridinyl]naphthalen-2-yl]-2,3-bis(4-tert-butylphenyl)indole.

Molecular Properties

Compound Name1-[6-[5-[6-[2,3-bis(4-tert-butylphenyl)indol-1-yl]naphthalen-2-yl]-2-pyridinyl]naphthalen-2-yl]-2,3-bis(4-tert-butylphenyl)indole
PubChem CID138579631
Molecular FormulaC81H75N3
Molecular Weight1090.51 g/mol
Exact Mass1089.60
IUPAC Name1-[6-[5-[6-[2,3-bis(4-tert-butylphenyl)indol-1-yl]naphthalen-2-yl]-2-pyridinyl]naphthalen-2-yl]-2,3-bis(4-tert-butylphenyl)indole
SMILESCC(C)(C)c1ccc(-c2c(-c3ccc(C(C)(C)C)cc3)n(-c3ccc4cc(-c5ccc(-c6ccc7cc(-n8c(-c9ccc(C(C)(C)C)cc9)c(-c9ccc(C(C)(C)C)cc9)c9ccccc98)ccc7c6)nc5)ccc4c3)c3ccccc23)cc1
InChIInChI=1S/C81H75N3/c1-78(2,3)63-36-25-52(26-37-63)74-69-17-13-15-19-72(69)83(76(74)54-29-40-65(41-30-54)80(7,8)9)67-44-33-56-47-58(21-22-59(56)49-67)62-35-46-71(82-51-62)61-24-23-60-50-68(45-34-57(60)48-61)84-73-20-16-14-18-70(73)75(53-27-38-64(39-28-53)79(4,5)6)77(84)55-31-42-66(43-32-55)81(10,11)12/h13-51H,1-12H3
InChIKeyPQTQUIHEBBXDSI-UHFFFAOYSA-N
XLogP22.47
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001090.51
LogP ≤ 522.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[6-[5-[6-[2,3-bis(4-tert-butylphenyl)indol-1-yl]naphthalen-2-yl]-2-pyridinyl]naphthalen-2-yl]-2,3-bis(4-tert-butylphenyl)indole with MolForge

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Related Compounds

1-[4-[7-[2,3-bis(4-tert-butylphenyl)indol-1-yl]-9,9-dimethylfluoren-2-yl]phenyl]-2,3-bis(4-tert-butylphenyl)indole
CID 138579773
9-[9-(4-tert-butylphenyl)-6-carbazol-9-yl-10-naphthalen-2-ylanthracen-2-yl]carbazole
CID 59220991
9-phenyl-3-[5-[6-(9-phenylcarbazol-3-yl)-3-pyridinyl]-2-pyridinyl]carbazole
CID 56943928
1-[6-[5-[6-[3,5-bis(4-tert-butylphenyl)-2-methylindol-1-yl]naphthalen-2-yl]thiophen-2-yl]naphthalen-2-yl]-3,5-bis(4-tert-butylphenyl)-2-methylindole
CID 138579628
9-[7-[3,6-bis(4-tert-butylphenyl)carbazol-9-yl]naphthalen-2-yl]-3,6-bis(4-tert-butylphenyl)carbazole
CID 138479348
2-naphthalen-2-yl-5-[6-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]pyridine
CID 169293608
3-(3-tert-butylphenyl)-9-naphthalen-2-yl-6-(10-phenanthren-9-ylanthracen-9-yl)pyrido[2,3-b]indole
CID 88886590
2-(5-methyl-3-pyridinyl)-5-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]pyridine
CID 88554552
2-naphthalen-2-yl-5-(10-naphthalen-2-ylanthracen-9-yl)pyridine
CID 121277468
5-phenyl-2-[5-[10-(4-phenylphenyl)anthracen-9-yl]-2-pyridinyl]benzo[b]carbazole
CID 134531069
3,6-dinaphthalen-2-yl-9-phenanthren-2-ylcarbazole
CID 177074724
5-tert-butyl-1-[6-[6-[6-(5-tert-butyl-2,3-dimethylindol-1-yl)naphthalen-2-yl]naphthalen-2-yl]naphthalen-2-yl]-2,3-dimethylindole
CID 138579833

Frequently Asked Questions

What is the IUPAC name of 1-[6-[5-[6-[2,3-bis(4-tert-butylphenyl)indol-1-yl]naphthalen-2-yl]-2-pyridinyl]naphthalen-2-yl]-2,3-bis(4-tert-butylphenyl)indole?
The IUPAC name of 1-[6-[5-[6-[2,3-bis(4-tert-butylphenyl)indol-1-yl]naphthalen-2-yl]-2-pyridinyl]naphthalen-2-yl]-2,3-bis(4-tert-butylphenyl)indole (CID 138579631) is 1-[6-[5-[6-[2,3-bis(4-tert-butylphenyl)indol-1-yl]naphthalen-2-yl]-2-pyridinyl]naphthalen-2-yl]-2,3-bis(4-tert-butylphenyl)indole.
What is the SMILES notation for 1-[6-[5-[6-[2,3-bis(4-tert-butylphenyl)indol-1-yl]naphthalen-2-yl]-2-pyridinyl]naphthalen-2-yl]-2,3-bis(4-tert-butylphenyl)indole?
The canonical SMILES for 1-[6-[5-[6-[2,3-bis(4-tert-butylphenyl)indol-1-yl]naphthalen-2-yl]-2-pyridinyl]naphthalen-2-yl]-2,3-bis(4-tert-butylphenyl)indole is CC(C)(C)c1ccc(-c2c(-c3ccc(C(C)(C)C)cc3)n(-c3ccc4cc(-c5ccc(-c6ccc7cc(-n8c(-c9ccc(C(C)(C)C)cc9)c(-c9ccc(C(C)(C)C)cc9)c9ccccc98)ccc7c6)nc5)ccc4c3)c3ccccc23)cc1.
What is the InChIKey of 1-[6-[5-[6-[2,3-bis(4-tert-butylphenyl)indol-1-yl]naphthalen-2-yl]-2-pyridinyl]naphthalen-2-yl]-2,3-bis(4-tert-butylphenyl)indole?
The InChIKey is PQTQUIHEBBXDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H75N3/c1-78(2,3)63-36-25-52(26-37-63)74-69-17-13-15-19-72(69)83(76(74)54-29-40-65(41-30-54)80(7,8)9)67-44-33-56-47-58(21-22-59(56)49-67)62-35-46-71(82-51-62)61-24-23-60-50-68(45-34-57(60)48-61)84-73-20-16-14-18-70(73)75(53-27-38-64(39-28-53)79(4,5)6)77(84)55-31-42-66(43-32-55)81(10,11)12/h13-51H,1-12H3.
What are the key properties of 1-[6-[5-[6-[2,3-bis(4-tert-butylphenyl)indol-1-yl]naphthalen-2-yl]-2-pyridinyl]naphthalen-2-yl]-2,3-bis(4-tert-butylphenyl)indole?
1-[6-[5-[6-[2,3-bis(4-tert-butylphenyl)indol-1-yl]naphthalen-2-yl]-2-pyridinyl]naphthalen-2-yl]-2,3-bis(4-tert-butylphenyl)indole has a molecular weight of 1090.51 g/mol, XLogP of 22.47, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[5-[6-[2,3-bis(4-tert-butylphenyl)indol-1-yl]naphthalen-2-yl]-2-pyridinyl]naphthalen-2-yl]-2,3-bis(4-tert-butylphenyl)indole is sourced from PubChem (CID 138579631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).