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

C82H78N2S — CID 138579628

IUPAC1-[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
SMILESCc1c(-c2ccc(C(C)(C)C)cc2)c2cc(-c3ccc(C(C)(C)C)cc3)ccc2n1-c1ccc2cc(-c3ccc(-c4ccc5cc(-n6c(C)c(-c7ccc(C(C)(C)C)cc7)c7cc(-c8ccc(C(C)(C)C)cc8)ccc76)ccc5c4)s3)ccc2c1
InChIInChI=1S/C82H78N2S/c1-51-77(55-23-35-67(36-24-55)81(9,10)11)71-49-61(53-19-31-65(32-20-53)79(3,4)5)29-41-73(71)83(51)69-39-27-57-45-63(17-15-59(57)47-69)75-43-44-76(85-75)64-18-16-60-48-70(40-28-58(60)46-64)84-52(2)78(56-25-37-68(38-26-56)82(12,13)14)72-50-62(30-42-74(72)84)54-21-33-66(34-22-54)80(6,7)8/h15-50H,1-14H3
InChIKeyWMVVDIATKJUKSP-UHFFFAOYSA-N
MW1123.61 g/mol
LogP23.75
Rot. Bonds8

About 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

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 (PubChem CID 138579628) has the molecular formula C82H78N2S and a molecular weight of 1123.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID138579628
Molecular FormulaC82H78N2S
Molecular Weight1123.61 g/mol
Exact Mass1122.59
IUPAC Name1-[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
SMILESCc1c(-c2ccc(C(C)(C)C)cc2)c2cc(-c3ccc(C(C)(C)C)cc3)ccc2n1-c1ccc2cc(-c3ccc(-c4ccc5cc(-n6c(C)c(-c7ccc(C(C)(C)C)cc7)c7cc(-c8ccc(C(C)(C)C)cc8)ccc76)ccc5c4)s3)ccc2c1
InChIInChI=1S/C82H78N2S/c1-51-77(55-23-35-67(36-24-55)81(9,10)11)71-49-61(53-19-31-65(32-20-53)79(3,4)5)29-41-73(71)83(51)69-39-27-57-45-63(17-15-59(57)47-69)75-43-44-76(85-75)64-18-16-60-48-70(40-28-58(60)46-64)84-52(2)78(56-25-37-68(38-26-56)82(12,13)14)72-50-62(30-42-74(72)84)54-21-33-66(34-22-54)80(6,7)8/h15-50H,1-14H3
InChIKeyWMVVDIATKJUKSP-UHFFFAOYSA-N
XLogP23.75
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001123.61
LogP ≤ 523.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

9-[7-[3,6-bis(4-tert-butylphenyl)carbazol-9-yl]naphthalen-2-yl]-3,6-bis(4-tert-butylphenyl)carbazole
CID 138479348
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
9-[9-(4-tert-butylphenyl)-6-carbazol-9-yl-10-naphthalen-2-ylanthracen-2-yl]carbazole
CID 59220991
N-[4-[5-[1-[4-(dinaphthalen-2-ylamino)phenyl]-2-methyl-3-phenylindol-5-yl]-2-methyl-3-phenylindol-1-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 59184359
3,6-dinaphthalen-2-yl-9-phenanthren-2-ylcarbazole
CID 177074724
9-naphthalen-2-yl-3-(4-phenanthren-2-ylphenyl)-6-phenylcarbazole
CID 177074696
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
4-phenyl-N-(4-phenylphenyl)-N-[4-[6-(5-phenylthiophen-2-yl)-9-[3-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]aniline
CID 58281727
9-[4-(4-tert-butylphenyl)phenyl]-2-(4-methylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 170073064
9-(4-tert-butylphenyl)-3-[5-[7-[5-[9-(4-tert-butylphenyl)carbazol-3-yl]thiophen-2-yl]-9,9-dimethylfluoren-2-yl]thiophen-2-yl]carbazole
CID 59236651
3-(9-phenylcarbazol-3-yl)-9-(6-phenylnaphthalen-2-yl)carbazole
CID 118581886
9-[6-[7-[3,6-bis(2-methylbutan-2-yl)carbazol-9-yl]naphthalen-2-yl]naphthalen-2-yl]-3,6-bis(2-methylbutan-2-yl)carbazole
CID 138479050

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1c(-c2ccc(C(C)(C)C)cc2)c2cc(-c3ccc(C(C)(C)C)cc3)ccc2n1-c1ccc2cc(-c3ccc(-c4ccc5cc(-n6c(C)c(-c7ccc(C(C)(C)C)cc7)c7cc(-c8ccc(C(C)(C)C)cc8)ccc76)ccc5c4)s3)ccc2c1.
What is the InChIKey of 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?
The InChIKey is WMVVDIATKJUKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H78N2S/c1-51-77(55-23-35-67(36-24-55)81(9,10)11)71-49-61(53-19-31-65(32-20-53)79(3,4)5)29-41-73(71)83(51)69-39-27-57-45-63(17-15-59(57)47-69)75-43-44-76(85-75)64-18-16-60-48-70(40-28-58(60)46-64)84-52(2)78(56-25-37-68(38-26-56)82(12,13)14)72-50-62(30-42-74(72)84)54-21-33-66(34-22-54)80(6,7)8/h15-50H,1-14H3.
What are the key properties of 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?
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 has a molecular weight of 1123.61 g/mol, XLogP of 23.75, 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-[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 is sourced from PubChem (CID 138579628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).