1,2,3,6,7-pentakis(4-methoxyphenyl)-9H-carbazole

C47H39NO5 — CID 122366134

IUPAC1,2,3,6,7-pentakis(4-methoxyphenyl)-9H-carbazole
SMILESCOc1ccc(-c2cc3[nH]c4c(-c5ccc(OC)cc5)c(-c5ccc(OC)cc5)c(-c5ccc(OC)cc5)cc4c3cc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C47H39NO5/c1-49-34-16-6-29(7-17-34)39-26-42-43-27-41(31-10-20-36(51-3)21-11-31)45(32-12-22-37(52-4)23-13-32)46(33-14-24-38(53-5)25-15-33)47(43)48-44(42)28-40(39)30-8-18-35(50-2)19-9-30/h6-28,48H,1-5H3
InChIKeyBIAGLHZNYPEOKE-UHFFFAOYSA-N
MW697.83 g/mol
LogP11.70
Rot. Bonds10

About 1,2,3,6,7-pentakis(4-methoxyphenyl)-9H-carbazole

1,2,3,6,7-pentakis(4-methoxyphenyl)-9H-carbazole (PubChem CID 122366134) has the molecular formula C47H39NO5 and a molecular weight of 697.83 g/mol. Its IUPAC name is 1,2,3,6,7-pentakis(4-methoxyphenyl)-9H-carbazole.

Molecular Properties

Compound Name1,2,3,6,7-pentakis(4-methoxyphenyl)-9H-carbazole
PubChem CID122366134
Molecular FormulaC47H39NO5
Molecular Weight697.83 g/mol
Exact Mass697.28
IUPAC Name1,2,3,6,7-pentakis(4-methoxyphenyl)-9H-carbazole
SMILESCOc1ccc(-c2cc3[nH]c4c(-c5ccc(OC)cc5)c(-c5ccc(OC)cc5)c(-c5ccc(OC)cc5)cc4c3cc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C47H39NO5/c1-49-34-16-6-29(7-17-34)39-26-42-43-27-41(31-10-20-36(51-3)21-11-31)45(32-12-22-37(52-4)23-13-32)46(33-14-24-38(53-5)25-15-33)47(43)48-44(42)28-40(39)30-8-18-35(50-2)19-9-30/h6-28,48H,1-5H3
InChIKeyBIAGLHZNYPEOKE-UHFFFAOYSA-N
XLogP11.70
TPSA61.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.83
LogP ≤ 511.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methoxyphenyl)-1,2-diphenyl-9H-carbazole
CID 102141749
1,3,4,5-tetrakis(4-methoxyphenyl)-9H-carbazole-2,7-diamine
CID 162232953
3-(4-bromophenyl)-2-[3-(4-bromophenyl)-4,6-bis(4-methoxyphenyl)-1H-indol-2-yl]-4,6-bis(4-methoxyphenyl)-1H-indole
CID 101461868
2,3-bis(4-methoxyphenyl)-1H-indole
CID 21129
[6-methoxy-3,7-bis(4-methoxyphenyl)-1H-indol-2-yl]-(4-methoxyphenyl)methanone
CID 71723332
8-methoxy-2,4-diphenyl-5H-pyrido[3,2-b]indole
CID 132573450
1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene
CID 138981847
3-chloro-1,6-dimethoxy-9H-carbazole
CID 171714846
2-[2,3-dimethoxy-4,5-bis(4-methoxyphenyl)phenyl]ethanol
CID 173310640
2,6,9,10-tetrakis(4-methoxyphenyl)anthracene
CID 139177810
2,6,11,15-tetrakis(4-methoxyphenyl)-4,13,19,20-tetrazatricyclo[14.2.1.17,10]icosa-1(18),2,4,6,8,10,12,14,16-nonaene
CID 101487109
1,3-difluoro-5-(4-methoxyphenyl)-2-(4-methylphenyl)benzene
CID 121356402

Frequently Asked Questions

What is the IUPAC name of 1,2,3,6,7-pentakis(4-methoxyphenyl)-9H-carbazole?
The IUPAC name of 1,2,3,6,7-pentakis(4-methoxyphenyl)-9H-carbazole (CID 122366134) is 1,2,3,6,7-pentakis(4-methoxyphenyl)-9H-carbazole.
What is the SMILES notation for 1,2,3,6,7-pentakis(4-methoxyphenyl)-9H-carbazole?
The canonical SMILES for 1,2,3,6,7-pentakis(4-methoxyphenyl)-9H-carbazole is COc1ccc(-c2cc3[nH]c4c(-c5ccc(OC)cc5)c(-c5ccc(OC)cc5)c(-c5ccc(OC)cc5)cc4c3cc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 1,2,3,6,7-pentakis(4-methoxyphenyl)-9H-carbazole?
The InChIKey is BIAGLHZNYPEOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H39NO5/c1-49-34-16-6-29(7-17-34)39-26-42-43-27-41(31-10-20-36(51-3)21-11-31)45(32-12-22-37(52-4)23-13-32)46(33-14-24-38(53-5)25-15-33)47(43)48-44(42)28-40(39)30-8-18-35(50-2)19-9-30/h6-28,48H,1-5H3.
What are the key properties of 1,2,3,6,7-pentakis(4-methoxyphenyl)-9H-carbazole?
1,2,3,6,7-pentakis(4-methoxyphenyl)-9H-carbazole has a molecular weight of 697.83 g/mol, XLogP of 11.70, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,6,7-pentakis(4-methoxyphenyl)-9H-carbazole is sourced from PubChem (CID 122366134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).