3-tert-butyl-9-methyl-6-propan-2-ylcarbazole;(6-methoxy-9-methylcarbazol-3-yl)methanol;9-methylcarbazole;9-methyl-3,6-diphenylcarbazole;9-methyl-3,6-dipyridin-4-ylcarbazole;3,6,9-trimethylcarbazole

C111H102N8O2 — CID 158230815

IUPAC3-tert-butyl-9-methyl-6-propan-2-ylcarbazole;(6-methoxy-9-methylcarbazol-3-yl)methanol;9-methylcarbazole;9-methyl-3,6-diphenylcarbazole;9-methyl-3,6-dipyridin-4-ylcarbazole;3,6,9-trimethylcarbazole
SMILESCC(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2C.COc1ccc2c(c1)c1cc(CO)ccc1n2C.Cc1ccc2c(c1)c1cc(C)ccc1n2C.Cn1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21.Cn1c2ccc(-c3ccncc3)cc2c2cc(-c3ccncc3)ccc21.Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C25H19N.C23H17N3.C20H25N.C15H15NO2.C15H15N.C13H11N/c1-26-24-14-12-20(18-8-4-2-5-9-18)16-22(24)23-17-21(13-15-25(23)26)19-10-6-3-7-11-19;1-26-22-4-2-18(16-6-10-24-11-7-16)14-20(22)21-15-19(3-5-23(21)26)17-8-12-25-13-9-17;1-13(2)14-7-9-18-16(11-14)17-12-15(20(3,4)5)8-10-19(17)21(18)6;1-16-14-5-3-10(9-17)7-12(14)13-8-11(18-2)4-6-15(13)16;1-10-4-6-14-12(8-10)13-9-11(2)5-7-15(13)16(14)3;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14/h2-17H,1H3;2-15H,1H3;7-13H,1-6H3;3-8,17H,9H2,1-2H3;4-9H,1-3H3;2-9H,1H3
InChIKeyGEJAPNMAFBNLAM-UHFFFAOYSA-N
MW1580.09 g/mol
LogP27.99
Rot. Bonds7

About 3-tert-butyl-9-methyl-6-propan-2-ylcarbazole;(6-methoxy-9-methylcarbazol-3-yl)methanol;9-methylcarbazole;9-methyl-3,6-diphenylcarbazole;9-methyl-3,6-dipyridin-4-ylcarbazole;3,6,9-trimethylcarbazole

3-tert-butyl-9-methyl-6-propan-2-ylcarbazole;(6-methoxy-9-methylcarbazol-3-yl)methanol;9-methylcarbazole;9-methyl-3,6-diphenylcarbazole;9-methyl-3,6-dipyridin-4-ylcarbazole;3,6,9-trimethylcarbazole (PubChem CID 158230815) has the molecular formula C111H102N8O2 and a molecular weight of 1580.09 g/mol. Its IUPAC name is 3-tert-butyl-9-methyl-6-propan-2-ylcarbazole;(6-methoxy-9-methylcarbazol-3-yl)methanol;9-methylcarbazole;9-methyl-3,6-diphenylcarbazole;9-methyl-3,6-dipyridin-4-ylcarbazole;3,6,9-trimethylcarbazole.

Molecular Properties

Compound Name3-tert-butyl-9-methyl-6-propan-2-ylcarbazole;(6-methoxy-9-methylcarbazol-3-yl)methanol;9-methylcarbazole;9-methyl-3,6-diphenylcarbazole;9-methyl-3,6-dipyridin-4-ylcarbazole;3,6,9-trimethylcarbazole
PubChem CID158230815
Molecular FormulaC111H102N8O2
Molecular Weight1580.09 g/mol
Exact Mass1578.81
IUPAC Name3-tert-butyl-9-methyl-6-propan-2-ylcarbazole;(6-methoxy-9-methylcarbazol-3-yl)methanol;9-methylcarbazole;9-methyl-3,6-diphenylcarbazole;9-methyl-3,6-dipyridin-4-ylcarbazole;3,6,9-trimethylcarbazole
SMILESCC(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2C.COc1ccc2c(c1)c1cc(CO)ccc1n2C.Cc1ccc2c(c1)c1cc(C)ccc1n2C.Cn1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21.Cn1c2ccc(-c3ccncc3)cc2c2cc(-c3ccncc3)ccc21.Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C25H19N.C23H17N3.C20H25N.C15H15NO2.C15H15N.C13H11N/c1-26-24-14-12-20(18-8-4-2-5-9-18)16-22(24)23-17-21(13-15-25(23)26)19-10-6-3-7-11-19;1-26-22-4-2-18(16-6-10-24-11-7-16)14-20(22)21-15-19(3-5-23(21)26)17-8-12-25-13-9-17;1-13(2)14-7-9-18-16(11-14)17-12-15(20(3,4)5)8-10-19(17)21(18)6;1-16-14-5-3-10(9-17)7-12(14)13-8-11(18-2)4-6-15(13)16;1-10-4-6-14-12(8-10)13-9-11(2)5-7-15(13)16(14)3;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14/h2-17H,1H3;2-15H,1H3;7-13H,1-6H3;3-8,17H,9H2,1-2H3;4-9H,1-3H3;2-9H,1H3
InChIKeyGEJAPNMAFBNLAM-UHFFFAOYSA-N
XLogP27.99
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms121
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001580.09
LogP ≤ 527.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 3-tert-butyl-9-methyl-6-propan-2-ylcarbazole;(6-methoxy-9-methylcarbazol-3-yl)methanol;9-methylcarbazole;9-methyl-3,6-diphenylcarbazole;9-methyl-3,6-dipyridin-4-ylcarbazole;3,6,9-trimethylcarbazole with MolForge

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Related Compounds

8-Methoxy-5-[9-(8-methoxypyrido[4,3-b]indol-5-yl)nonyl]pyrido[4,3-b]indole
CID 122186422
8-Methoxy-5-[9-(8-methoxy-2-methylpyrido[4,3-b]indol-2-ium-5-yl)nonyl]-2-methylpyrido[4,3-b]indol-2-ium diiodide
CID 122186431
10-Methoxy-2-[2-[4-[1-[2-(10-methoxy-7-methylpyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7-methylpyrido[4,3-c]carbazol-2-ium dichloride
CID 10101942
10-Methoxy-3-[2-[4-[1-[2-(10-methoxy-7-methylpyrido[3,4-c]carbazol-3-ium-3-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7-methylpyrido[3,4-c]carbazol-3-ium dichloride
CID 15921313
3-[[5-[bis(5-methoxy-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole
CID 127035273
3-[[6-[bis(5-methoxy-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole
CID 127035571
3-[[6-[bis(5-phenylmethoxy-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-phenylmethoxy-1H-indol-3-yl)methyl]-5-phenylmethoxy-1H-indole
CID 127035684
3,6-Dihexoxy-9-[4-[2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]phenyl]carbazole
CID 90793017
[2-[2-Carbazol-9-yl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;9-[2-(4-methoxy-2-pyridinyl)-4-methylbenzene-3-id-1-yl]carbazole;platinum(2+)
CID 58401472
2-[[1-Butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-8-[(3,5-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane;2-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-8-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane;1-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperidin-4-ol
CID 157860416
2-(3,5-Dimethyl-2-pyridinyl)-6-methoxyquinoline;2-(3,6-dimethyl-2-pyridinyl)-6-methoxyquinoline;2-(4,6-dimethyl-2-pyridinyl)-6-methoxyquinoline;tetrakis(iridium);tetrakis(pentane-2,4-diol);2-pyridin-2-yl-6-(trifluoromethyl)quinoline
CID 157979266
3-prop-2-enyl-1-[4-[4-(trifluoromethyl)phenoxy]phenyl]indole;3-prop-2-enyl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indole;(2S)-3-[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]indol-3-yl]propane-1,2-diol;(2S)-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propane-1,2-diol
CID 158970179

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-9-methyl-6-propan-2-ylcarbazole;(6-methoxy-9-methylcarbazol-3-yl)methanol;9-methylcarbazole;9-methyl-3,6-diphenylcarbazole;9-methyl-3,6-dipyridin-4-ylcarbazole;3,6,9-trimethylcarbazole?
The IUPAC name of 3-tert-butyl-9-methyl-6-propan-2-ylcarbazole;(6-methoxy-9-methylcarbazol-3-yl)methanol;9-methylcarbazole;9-methyl-3,6-diphenylcarbazole;9-methyl-3,6-dipyridin-4-ylcarbazole;3,6,9-trimethylcarbazole (CID 158230815) is 3-tert-butyl-9-methyl-6-propan-2-ylcarbazole;(6-methoxy-9-methylcarbazol-3-yl)methanol;9-methylcarbazole;9-methyl-3,6-diphenylcarbazole;9-methyl-3,6-dipyridin-4-ylcarbazole;3,6,9-trimethylcarbazole.
What is the SMILES notation for 3-tert-butyl-9-methyl-6-propan-2-ylcarbazole;(6-methoxy-9-methylcarbazol-3-yl)methanol;9-methylcarbazole;9-methyl-3,6-diphenylcarbazole;9-methyl-3,6-dipyridin-4-ylcarbazole;3,6,9-trimethylcarbazole?
The canonical SMILES for 3-tert-butyl-9-methyl-6-propan-2-ylcarbazole;(6-methoxy-9-methylcarbazol-3-yl)methanol;9-methylcarbazole;9-methyl-3,6-diphenylcarbazole;9-methyl-3,6-dipyridin-4-ylcarbazole;3,6,9-trimethylcarbazole is CC(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2C.COc1ccc2c(c1)c1cc(CO)ccc1n2C.Cc1ccc2c(c1)c1cc(C)ccc1n2C.Cn1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21.Cn1c2ccc(-c3ccncc3)cc2c2cc(-c3ccncc3)ccc21.Cn1c2ccccc2c2ccccc21.
What is the InChIKey of 3-tert-butyl-9-methyl-6-propan-2-ylcarbazole;(6-methoxy-9-methylcarbazol-3-yl)methanol;9-methylcarbazole;9-methyl-3,6-diphenylcarbazole;9-methyl-3,6-dipyridin-4-ylcarbazole;3,6,9-trimethylcarbazole?
The InChIKey is GEJAPNMAFBNLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N.C23H17N3.C20H25N.C15H15NO2.C15H15N.C13H11N/c1-26-24-14-12-20(18-8-4-2-5-9-18)16-22(24)23-17-21(13-15-25(23)26)19-10-6-3-7-11-19;1-26-22-4-2-18(16-6-10-24-11-7-16)14-20(22)21-15-19(3-5-23(21)26)17-8-12-25-13-9-17;1-13(2)14-7-9-18-16(11-14)17-12-15(20(3,4)5)8-10-19(17)21(18)6;1-16-14-5-3-10(9-17)7-12(14)13-8-11(18-2)4-6-15(13)16;1-10-4-6-14-12(8-10)13-9-11(2)5-7-15(13)16(14)3;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14/h2-17H,1H3;2-15H,1H3;7-13H,1-6H3;3-8,17H,9H2,1-2H3;4-9H,1-3H3;2-9H,1H3.
What are the key properties of 3-tert-butyl-9-methyl-6-propan-2-ylcarbazole;(6-methoxy-9-methylcarbazol-3-yl)methanol;9-methylcarbazole;9-methyl-3,6-diphenylcarbazole;9-methyl-3,6-dipyridin-4-ylcarbazole;3,6,9-trimethylcarbazole?
3-tert-butyl-9-methyl-6-propan-2-ylcarbazole;(6-methoxy-9-methylcarbazol-3-yl)methanol;9-methylcarbazole;9-methyl-3,6-diphenylcarbazole;9-methyl-3,6-dipyridin-4-ylcarbazole;3,6,9-trimethylcarbazole has a molecular weight of 1580.09 g/mol, XLogP of 27.99, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-9-methyl-6-propan-2-ylcarbazole;(6-methoxy-9-methylcarbazol-3-yl)methanol;9-methylcarbazole;9-methyl-3,6-diphenylcarbazole;9-methyl-3,6-dipyridin-4-ylcarbazole;3,6,9-trimethylcarbazole is sourced from PubChem (CID 158230815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).