bis[4-(dimethylamino)phenyl]-(9-ethylcarbazol-1-yl)methanol;methoxymethane

C33H39N3O2 — CID 70415000

IUPACbis[4-(dimethylamino)phenyl]-(9-ethylcarbazol-1-yl)methanol;methoxymethane
SMILESCCn1c2ccccc2c2cccc(C(O)(c3ccc(N(C)C)cc3)c3ccc(N(C)C)cc3)c21.COC
InChIInChI=1S/C31H33N3O.C2H6O/c1-6-34-29-13-8-7-10-26(29)27-11-9-12-28(30(27)34)31(35,22-14-18-24(19-15-22)32(2)3)23-16-20-25(21-17-23)33(4)5;1-3-2/h7-21,35H,6H2,1-5H3;1-2H3
InChIKeyQRVZOXCHIAWUKE-UHFFFAOYSA-N
MW509.69 g/mol
LogP6.49
Rot. Bonds6

About bis[4-(dimethylamino)phenyl]-(9-ethylcarbazol-1-yl)methanol;methoxymethane

bis[4-(dimethylamino)phenyl]-(9-ethylcarbazol-1-yl)methanol;methoxymethane (PubChem CID 70415000) has the molecular formula C33H39N3O2 and a molecular weight of 509.69 g/mol. Its IUPAC name is bis[4-(dimethylamino)phenyl]-(9-ethylcarbazol-1-yl)methanol;methoxymethane.

Molecular Properties

Compound Namebis[4-(dimethylamino)phenyl]-(9-ethylcarbazol-1-yl)methanol;methoxymethane
PubChem CID70415000
Molecular FormulaC33H39N3O2
Molecular Weight509.69 g/mol
Exact Mass509.30
IUPAC Namebis[4-(dimethylamino)phenyl]-(9-ethylcarbazol-1-yl)methanol;methoxymethane
SMILESCCn1c2ccccc2c2cccc(C(O)(c3ccc(N(C)C)cc3)c3ccc(N(C)C)cc3)c21.COC
InChIInChI=1S/C31H33N3O.C2H6O/c1-6-34-29-13-8-7-10-26(29)27-11-9-12-28(30(27)34)31(35,22-14-18-24(19-15-22)32(2)3)23-16-20-25(21-17-23)33(4)5;1-3-2/h7-21,35H,6H2,1-5H3;1-2H3
InChIKeyQRVZOXCHIAWUKE-UHFFFAOYSA-N
XLogP6.49
TPSA40.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.69
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1-bromo-9-ethylcarbazole
CID 19736997
4,27-diethyl-4,27-diazaheptacyclo[15.11.0.02,14.03,11.05,10.020,28.021,26]octacosa-1(17),2(14),3(11),5,7,9,12,15,18,20(28),21,23,25-tridecaene
CID 177442338
21-ethyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
CID 20520657
[4-(dimethylamino)phenyl]-(4-methoxyphenyl)-(2-propan-2-ylphenyl)methanol
CID 101076280
9-ethyl-1-pyrimidin-2-ylcarbazole
CID 91102631
1,8-ditert-butyl-9-ethylcarbazole
CID 142290146
12-ethyl-11-methylindolo[2,3-a]carbazole
CID 90350910
(2,4-dimethoxyphenyl)-[4-(dimethylamino)phenyl]-phenylmethanol
CID 101076305
9-ethyl-N,N-dimethylcarbazole-3-carboxamide
CID 163964567
4-[(9-ethylcarbazol-3-yl)methylideneamino]-N,N-dimethylaniline
CID 12752582
3-[5,11-diethyl-12-(3-hydroxyphenyl)indolo[3,2-b]carbazol-6-yl]phenol
CID 170680378
3-N-(9-ethylcarbazol-2-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine
CID 177275887

Frequently Asked Questions

What is the IUPAC name of bis[4-(dimethylamino)phenyl]-(9-ethylcarbazol-1-yl)methanol;methoxymethane?
The IUPAC name of bis[4-(dimethylamino)phenyl]-(9-ethylcarbazol-1-yl)methanol;methoxymethane (CID 70415000) is bis[4-(dimethylamino)phenyl]-(9-ethylcarbazol-1-yl)methanol;methoxymethane.
What is the SMILES notation for bis[4-(dimethylamino)phenyl]-(9-ethylcarbazol-1-yl)methanol;methoxymethane?
The canonical SMILES for bis[4-(dimethylamino)phenyl]-(9-ethylcarbazol-1-yl)methanol;methoxymethane is CCn1c2ccccc2c2cccc(C(O)(c3ccc(N(C)C)cc3)c3ccc(N(C)C)cc3)c21.COC.
What is the InChIKey of bis[4-(dimethylamino)phenyl]-(9-ethylcarbazol-1-yl)methanol;methoxymethane?
The InChIKey is QRVZOXCHIAWUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N3O.C2H6O/c1-6-34-29-13-8-7-10-26(29)27-11-9-12-28(30(27)34)31(35,22-14-18-24(19-15-22)32(2)3)23-16-20-25(21-17-23)33(4)5;1-3-2/h7-21,35H,6H2,1-5H3;1-2H3.
What are the key properties of bis[4-(dimethylamino)phenyl]-(9-ethylcarbazol-1-yl)methanol;methoxymethane?
bis[4-(dimethylamino)phenyl]-(9-ethylcarbazol-1-yl)methanol;methoxymethane has a molecular weight of 509.69 g/mol, XLogP of 6.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(dimethylamino)phenyl]-(9-ethylcarbazol-1-yl)methanol;methoxymethane is sourced from PubChem (CID 70415000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).