3,6-ditert-butyl-9H-carbazole;[4-[(4-methoxyphenyl)methyl]phenyl]methanol;6-methyl-9H-carbazol-3-amine;1-methyl-4-[(4-methylphenyl)methyl]benzene

C63H69N3O2 — CID 160732221

IUPAC3,6-ditert-butyl-9H-carbazole;[4-[(4-methoxyphenyl)methyl]phenyl]methanol;6-methyl-9H-carbazol-3-amine;1-methyl-4-[(4-methylphenyl)methyl]benzene
SMILESCC(C)(C)c1ccc2[nH]c3ccc(C(C)(C)C)cc3c2c1.COc1ccc(Cc2ccc(CO)cc2)cc1.Cc1ccc(Cc2ccc(C)cc2)cc1.Cc1ccc2[nH]c3ccc(N)cc3c2c1
InChIInChI=1S/C20H25N.C15H16O2.C15H16.C13H12N2/c1-19(2,3)13-7-9-17-15(11-13)16-12-14(20(4,5)6)8-10-18(16)21-17;1-17-15-8-6-13(7-9-15)10-12-2-4-14(11-16)5-3-12;1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;1-8-2-4-12-10(6-8)11-7-9(14)3-5-13(11)15-12/h7-12,21H,1-6H3;2-9,16H,10-11H2,1H3;3-10H,11H2,1-2H3;2-7,15H,14H2,1H3
InChIKeyRUMMBDVKYFIECG-UHFFFAOYSA-N
MW900.26 g/mol
LogP15.80
Rot. Bonds6

About 3,6-ditert-butyl-9H-carbazole;[4-[(4-methoxyphenyl)methyl]phenyl]methanol;6-methyl-9H-carbazol-3-amine;1-methyl-4-[(4-methylphenyl)methyl]benzene

3,6-ditert-butyl-9H-carbazole;[4-[(4-methoxyphenyl)methyl]phenyl]methanol;6-methyl-9H-carbazol-3-amine;1-methyl-4-[(4-methylphenyl)methyl]benzene (PubChem CID 160732221) has the molecular formula C63H69N3O2 and a molecular weight of 900.26 g/mol. Its IUPAC name is 3,6-ditert-butyl-9H-carbazole;[4-[(4-methoxyphenyl)methyl]phenyl]methanol;6-methyl-9H-carbazol-3-amine;1-methyl-4-[(4-methylphenyl)methyl]benzene.

Molecular Properties

Compound Name3,6-ditert-butyl-9H-carbazole;[4-[(4-methoxyphenyl)methyl]phenyl]methanol;6-methyl-9H-carbazol-3-amine;1-methyl-4-[(4-methylphenyl)methyl]benzene
PubChem CID160732221
Molecular FormulaC63H69N3O2
Molecular Weight900.26 g/mol
Exact Mass899.54
IUPAC Name3,6-ditert-butyl-9H-carbazole;[4-[(4-methoxyphenyl)methyl]phenyl]methanol;6-methyl-9H-carbazol-3-amine;1-methyl-4-[(4-methylphenyl)methyl]benzene
SMILESCC(C)(C)c1ccc2[nH]c3ccc(C(C)(C)C)cc3c2c1.COc1ccc(Cc2ccc(CO)cc2)cc1.Cc1ccc(Cc2ccc(C)cc2)cc1.Cc1ccc2[nH]c3ccc(N)cc3c2c1
InChIInChI=1S/C20H25N.C15H16O2.C15H16.C13H12N2/c1-19(2,3)13-7-9-17-15(11-13)16-12-14(20(4,5)6)8-10-18(16)21-17;1-17-15-8-6-13(7-9-15)10-12-2-4-14(11-16)5-3-12;1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;1-8-2-4-12-10(6-8)11-7-9(14)3-5-13(11)15-12/h7-12,21H,1-6H3;2-9,16H,10-11H2,1H3;3-10H,11H2,1-2H3;2-7,15H,14H2,1H3
InChIKeyRUMMBDVKYFIECG-UHFFFAOYSA-N
XLogP15.80
TPSA87.06 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500900.26
LogP ≤ 515.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3,6-ditert-butyl-9H-carbazole;[4-[(4-methoxyphenyl)methyl]phenyl]methanol;6-methyl-9H-carbazol-3-amine;1-methyl-4-[(4-methylphenyl)methyl]benzene with MolForge

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Related Compounds

2-(4-methoxyphenyl)-1-(4-methylphenyl)propan-2-ol
CID 60798775
4-[5-tert-butyl-2-(4-methoxyphenyl)-1H-indol-3-yl]butan-1-amine
CID 5131394
2-[(4-methoxyphenyl)methyl]-2-[(4-methylphenyl)methyl]propanedioic acid
CID 58403888
(4-methoxyphenyl)methanol
CID 7738
benzylbenzene;1-benzyl-4-methoxybenzene;1-tert-butyl-4-[(4-tert-butylphenyl)methyl]benzene;1-ethyl-4-[(4-ethylphenyl)methyl]benzene;1-hexyl-4-[(4-hexylphenyl)methyl]benzene;[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)iodanium;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-octyl-4-[(4-octylphenyl)methyl]benzene
CID 161076268
4-tert-butyl-2-[(4-methoxyphenyl)methyl]phenol
CID 150183157
3,6-dimethyl-9H-carbazole
CID 144942624
3,6-ditert-butyl-9-[6-(3-tert-butyl-6-methylcarbazol-9-yl)-9H-carbazol-3-yl]carbazole
CID 153353487
4-(4-methoxyphenyl)-6-methyl-1H-quinolin-2-one
CID 139231028
2-methoxy-7-methyl-10H-acridin-9-one
CID 24773760
6-(hydroxymethyl)-16,26-dimethoxy-3,13,23-triazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(22),2(11),4(9),5,7,12(21),14(19),15,17,24(29),25,27-dodecaene-10,20,30-trione;7-(hydroxymethyl)-17,27-dimethoxy-3,13,23-triazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(22),2(11),4(9),5,7,12(21),14(19),15,17,24(29),25,27-dodecaene-10,20,30-trione;6,16,26-trimethyl-3,13,23-triazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,4(9),5,7,11,14(19),15,17,21,24(29),25,27-dodecaene-10,20,30-trione;7,17,27-trimethyl-3,13,23-triazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,4(9),5,7,11,14(19),15,17,21,24(29),25,27-dodecaene-10,20,30-trione
CID 158031371
2-(2,5-dimethyl-1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 45497570

Frequently Asked Questions

What is the IUPAC name of 3,6-ditert-butyl-9H-carbazole;[4-[(4-methoxyphenyl)methyl]phenyl]methanol;6-methyl-9H-carbazol-3-amine;1-methyl-4-[(4-methylphenyl)methyl]benzene?
The IUPAC name of 3,6-ditert-butyl-9H-carbazole;[4-[(4-methoxyphenyl)methyl]phenyl]methanol;6-methyl-9H-carbazol-3-amine;1-methyl-4-[(4-methylphenyl)methyl]benzene (CID 160732221) is 3,6-ditert-butyl-9H-carbazole;[4-[(4-methoxyphenyl)methyl]phenyl]methanol;6-methyl-9H-carbazol-3-amine;1-methyl-4-[(4-methylphenyl)methyl]benzene.
What is the SMILES notation for 3,6-ditert-butyl-9H-carbazole;[4-[(4-methoxyphenyl)methyl]phenyl]methanol;6-methyl-9H-carbazol-3-amine;1-methyl-4-[(4-methylphenyl)methyl]benzene?
The canonical SMILES for 3,6-ditert-butyl-9H-carbazole;[4-[(4-methoxyphenyl)methyl]phenyl]methanol;6-methyl-9H-carbazol-3-amine;1-methyl-4-[(4-methylphenyl)methyl]benzene is CC(C)(C)c1ccc2[nH]c3ccc(C(C)(C)C)cc3c2c1.COc1ccc(Cc2ccc(CO)cc2)cc1.Cc1ccc(Cc2ccc(C)cc2)cc1.Cc1ccc2[nH]c3ccc(N)cc3c2c1.
What is the InChIKey of 3,6-ditert-butyl-9H-carbazole;[4-[(4-methoxyphenyl)methyl]phenyl]methanol;6-methyl-9H-carbazol-3-amine;1-methyl-4-[(4-methylphenyl)methyl]benzene?
The InChIKey is RUMMBDVKYFIECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N.C15H16O2.C15H16.C13H12N2/c1-19(2,3)13-7-9-17-15(11-13)16-12-14(20(4,5)6)8-10-18(16)21-17;1-17-15-8-6-13(7-9-15)10-12-2-4-14(11-16)5-3-12;1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;1-8-2-4-12-10(6-8)11-7-9(14)3-5-13(11)15-12/h7-12,21H,1-6H3;2-9,16H,10-11H2,1H3;3-10H,11H2,1-2H3;2-7,15H,14H2,1H3.
What are the key properties of 3,6-ditert-butyl-9H-carbazole;[4-[(4-methoxyphenyl)methyl]phenyl]methanol;6-methyl-9H-carbazol-3-amine;1-methyl-4-[(4-methylphenyl)methyl]benzene?
3,6-ditert-butyl-9H-carbazole;[4-[(4-methoxyphenyl)methyl]phenyl]methanol;6-methyl-9H-carbazol-3-amine;1-methyl-4-[(4-methylphenyl)methyl]benzene has a molecular weight of 900.26 g/mol, XLogP of 15.80, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-ditert-butyl-9H-carbazole;[4-[(4-methoxyphenyl)methyl]phenyl]methanol;6-methyl-9H-carbazol-3-amine;1-methyl-4-[(4-methylphenyl)methyl]benzene is sourced from PubChem (CID 160732221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).