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

C58H54N2 — CID 138579833

IUPAC5-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
SMILESCc1c(C)n(-c2ccc3cc(-c4ccc5cc(-c6ccc7cc(-n8c(C)c(C)c9cc(C(C)(C)C)ccc98)ccc7c6)ccc5c4)ccc3c2)c2ccc(C(C)(C)C)cc12
InChIInChI=1S/C58H54N2/c1-35-37(3)59(55-25-21-49(33-53(35)55)57(5,6)7)51-23-19-45-29-43(15-17-47(45)31-51)41-13-11-40-28-42(14-12-39(40)27-41)44-16-18-48-32-52(24-20-46(48)30-44)60-38(4)36(2)54-34-50(58(8,9)10)22-26-56(54)60/h11-34H,1-10H3
InChIKeyJMTWCPSHPALEIK-UHFFFAOYSA-N
MW779.08 g/mol
LogP16.20
Rot. Bonds4

About 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

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 (PubChem CID 138579833) has the molecular formula C58H54N2 and a molecular weight of 779.08 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID138579833
Molecular FormulaC58H54N2
Molecular Weight779.08 g/mol
Exact Mass778.43
IUPAC Name5-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
SMILESCc1c(C)n(-c2ccc3cc(-c4ccc5cc(-c6ccc7cc(-n8c(C)c(C)c9cc(C(C)(C)C)ccc98)ccc7c6)ccc5c4)ccc3c2)c2ccc(C(C)(C)C)cc12
InChIInChI=1S/C58H54N2/c1-35-37(3)59(55-25-21-49(33-53(35)55)57(5,6)7)51-23-19-45-29-43(15-17-47(45)31-51)41-13-11-40-28-42(14-12-39(40)27-41)44-16-18-48-32-52(24-20-46(48)30-44)60-38(4)36(2)54-34-50(58(8,9)10)22-26-56(54)60/h11-34H,1-10H3
InChIKeyJMTWCPSHPALEIK-UHFFFAOYSA-N
XLogP16.20
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.08
LogP ≤ 516.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

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
1-anthracen-2-yl-2,3-dimethyl-6-naphthalen-2-ylbenzo[f]indole
CID 58536037
9-[7-[3,6-bis(4-tert-butylphenyl)carbazol-9-yl]naphthalen-2-yl]-3,6-bis(4-tert-butylphenyl)carbazole
CID 138479348
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
9-(6-bromonaphthalen-2-yl)-3,6-ditert-butylcarbazole
CID 138478846
2,12-ditert-butyl-7,8,17,18-tetramethyl-6,16-dinaphthalen-2-yl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene
CID 58131780
5,10-ditert-butyl-2,3-dimethyl-1-naphthalen-2-ylnaphtho[2,3-f]indole
CID 58161270
14,24-ditert-butyl-18,20,28-trinaphthalen-2-yl-1,20-diazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.021,26]triaconta-2,4,6,8,10,12(30),13,15,17(29),18,21(26),22,24,27-tetradecaene
CID 164772359
N,N-bis(5-tert-butyl-2-methylphenyl)-17-(3,6-ditert-butylcarbazol-9-yl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166031875
N-[4-[5-[2,3-dimethyl-1-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]indol-5-yl]-2,3-dimethylindol-1-yl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine
CID 59184250
3,6-dinaphthalen-2-yl-9-phenanthren-2-ylcarbazole
CID 177074724
9-[9-(4-tert-butylphenyl)-6-carbazol-9-yl-10-naphthalen-2-ylanthracen-2-yl]carbazole
CID 59220991

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1c(C)n(-c2ccc3cc(-c4ccc5cc(-c6ccc7cc(-n8c(C)c(C)c9cc(C(C)(C)C)ccc98)ccc7c6)ccc5c4)ccc3c2)c2ccc(C(C)(C)C)cc12.
What is the InChIKey of 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?
The InChIKey is JMTWCPSHPALEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H54N2/c1-35-37(3)59(55-25-21-49(33-53(35)55)57(5,6)7)51-23-19-45-29-43(15-17-47(45)31-51)41-13-11-40-28-42(14-12-39(40)27-41)44-16-18-48-32-52(24-20-46(48)30-44)60-38(4)36(2)54-34-50(58(8,9)10)22-26-56(54)60/h11-34H,1-10H3.
What are the key properties of 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?
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 has a molecular weight of 779.08 g/mol, XLogP of 16.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 138579833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).