1-methoxy-9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3-[(1-methoxy-3-methylcarbazol-9-yl)methyl]carbazole

C42H35N3O3 — CID 102015823

IUPAC1-methoxy-9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3-[(1-methoxy-3-methylcarbazol-9-yl)methyl]carbazole
SMILESCOc1cc(Cn2c3ccccc3c3cc(Cn4c5ccccc5c5cc(C)cc(OC)c54)cc(OC)c32)cc2c1[nH]c1ccccc12
InChIInChI=1S/C42H35N3O3/c1-25-17-32-29-12-6-9-15-35(29)44(41(32)38(18-25)47-3)24-27-20-33-30-13-7-10-16-36(30)45(42(33)39(22-27)48-4)23-26-19-31-28-11-5-8-14-34(28)43-40(31)37(21-26)46-2/h5-22,43H,23-24H2,1-4H3
InChIKeyUPHXYWBHFYQWNL-UHFFFAOYSA-N
MW629.76 g/mol
LogP9.97
Rot. Bonds7

About 1-methoxy-9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3-[(1-methoxy-3-methylcarbazol-9-yl)methyl]carbazole

1-methoxy-9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3-[(1-methoxy-3-methylcarbazol-9-yl)methyl]carbazole (PubChem CID 102015823) has the molecular formula C42H35N3O3 and a molecular weight of 629.76 g/mol. Its IUPAC name is 1-methoxy-9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3-[(1-methoxy-3-methylcarbazol-9-yl)methyl]carbazole.

Molecular Properties

Compound Name1-methoxy-9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3-[(1-methoxy-3-methylcarbazol-9-yl)methyl]carbazole
PubChem CID102015823
Molecular FormulaC42H35N3O3
Molecular Weight629.76 g/mol
Exact Mass629.27
IUPAC Name1-methoxy-9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3-[(1-methoxy-3-methylcarbazol-9-yl)methyl]carbazole
SMILESCOc1cc(Cn2c3ccccc3c3cc(Cn4c5ccccc5c5cc(C)cc(OC)c54)cc(OC)c32)cc2c1[nH]c1ccccc12
InChIInChI=1S/C42H35N3O3/c1-25-17-32-29-12-6-9-15-35(29)44(41(32)38(18-25)47-3)24-27-20-33-30-13-7-10-16-36(30)45(42(33)39(22-27)48-4)23-26-19-31-28-11-5-8-14-34(28)43-40(31)37(21-26)46-2/h5-22,43H,23-24H2,1-4H3
InChIKeyUPHXYWBHFYQWNL-UHFFFAOYSA-N
XLogP9.97
TPSA53.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.76
LogP ≤ 59.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methoxy-9-(1-methoxy-9H-carbazol-3-yl)-3-methylcarbazole
CID 14634645
(1S)-1-(1-methoxy-3-methylcarbazol-9-yl)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole
CID 163076406
3-methyl-1-(3-methylbut-2-enoxy)-9H-carbazole
CID 91493313
[3-benzoyl-5-(11H-indolo[2,3-a]carbazol-12-ylmethyl)phenyl]-phenylmethanone
CID 122430667
9H-carbazole;9-ethylcarbazole
CID 159391034
1,2-dimethoxy-3-methyl-9H-carbazole
CID 121392171
1,3-dimethoxy-6-methyl-9H-carbazole
CID 171714907
1-heptyl-3-methoxy-2-methyl-9H-carbazole
CID 3071880
ethyl 9-[(3,4,5-trimethoxyphenyl)methyl]pyrido[3,4-b]indole-3-carboxylate
CID 122187130
1-methoxy-9H-carbazole;oxirane
CID 175234481
methane;9-[(3-methylphenyl)methyl]carbazole
CID 159308792
2,3-dimethoxy-1-methyl-9H-carbazole;terephthalic acid
CID 175513931

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3-[(1-methoxy-3-methylcarbazol-9-yl)methyl]carbazole?
The IUPAC name of 1-methoxy-9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3-[(1-methoxy-3-methylcarbazol-9-yl)methyl]carbazole (CID 102015823) is 1-methoxy-9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3-[(1-methoxy-3-methylcarbazol-9-yl)methyl]carbazole.
What is the SMILES notation for 1-methoxy-9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3-[(1-methoxy-3-methylcarbazol-9-yl)methyl]carbazole?
The canonical SMILES for 1-methoxy-9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3-[(1-methoxy-3-methylcarbazol-9-yl)methyl]carbazole is COc1cc(Cn2c3ccccc3c3cc(Cn4c5ccccc5c5cc(C)cc(OC)c54)cc(OC)c32)cc2c1[nH]c1ccccc12.
What is the InChIKey of 1-methoxy-9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3-[(1-methoxy-3-methylcarbazol-9-yl)methyl]carbazole?
The InChIKey is UPHXYWBHFYQWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H35N3O3/c1-25-17-32-29-12-6-9-15-35(29)44(41(32)38(18-25)47-3)24-27-20-33-30-13-7-10-16-36(30)45(42(33)39(22-27)48-4)23-26-19-31-28-11-5-8-14-34(28)43-40(31)37(21-26)46-2/h5-22,43H,23-24H2,1-4H3.
What are the key properties of 1-methoxy-9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3-[(1-methoxy-3-methylcarbazol-9-yl)methyl]carbazole?
1-methoxy-9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3-[(1-methoxy-3-methylcarbazol-9-yl)methyl]carbazole has a molecular weight of 629.76 g/mol, XLogP of 9.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3-[(1-methoxy-3-methylcarbazol-9-yl)methyl]carbazole is sourced from PubChem (CID 102015823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).