9-ethylcarbazole;9-[(5,8,9,10-tetramethylanthracen-1-yl)methyl]carbazole

C45H40N2 — CID 161201438

IUPAC9-ethylcarbazole;9-[(5,8,9,10-tetramethylanthracen-1-yl)methyl]carbazole
SMILESCCn1c2ccccc2c2ccccc21.Cc1ccc(C)c2c(C)c3c(Cn4c5ccccc5c5ccccc54)cccc3c(C)c12
InChIInChI=1S/C31H27N.C14H13N/c1-19-16-17-20(2)30-22(4)31-23(10-9-13-24(31)21(3)29(19)30)18-32-27-14-7-5-11-25(27)26-12-6-8-15-28(26)32;1-2-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15/h5-17H,18H2,1-4H3;3-10H,2H2,1H3
InChIKeyUVAKMALMDNNDOQ-UHFFFAOYSA-N
MW608.83 g/mol
LogP12.20
Rot. Bonds3

About 9-ethylcarbazole;9-[(5,8,9,10-tetramethylanthracen-1-yl)methyl]carbazole

9-ethylcarbazole;9-[(5,8,9,10-tetramethylanthracen-1-yl)methyl]carbazole (PubChem CID 161201438) has the molecular formula C45H40N2 and a molecular weight of 608.83 g/mol. Its IUPAC name is 9-ethylcarbazole;9-[(5,8,9,10-tetramethylanthracen-1-yl)methyl]carbazole.

Molecular Properties

Compound Name9-ethylcarbazole;9-[(5,8,9,10-tetramethylanthracen-1-yl)methyl]carbazole
PubChem CID161201438
Molecular FormulaC45H40N2
Molecular Weight608.83 g/mol
Exact Mass608.32
IUPAC Name9-ethylcarbazole;9-[(5,8,9,10-tetramethylanthracen-1-yl)methyl]carbazole
SMILESCCn1c2ccccc2c2ccccc21.Cc1ccc(C)c2c(C)c3c(Cn4c5ccccc5c5ccccc54)cccc3c(C)c12
InChIInChI=1S/C31H27N.C14H13N/c1-19-16-17-20(2)30-22(4)31-23(10-9-13-24(31)21(3)29(19)30)18-32-27-14-7-5-11-25(27)26-12-6-8-15-28(26)32;1-2-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15/h5-17H,18H2,1-4H3;3-10H,2H2,1H3
InChIKeyUVAKMALMDNNDOQ-UHFFFAOYSA-N
XLogP12.20
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.83
LogP ≤ 512.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-[(2,5-dimethylphenyl)methyl]carbazole
CID 174908792
12-ethyl-5-[(9-methylcarbazol-4-yl)methyl]indolo[3,2-c]carbazole
CID 134168521
4-(carbazol-9-ylmethyl)-9H-carbazole
CID 167169330
9-ethyl-2-methylcarbazole
CID 19788789
9-ethyl-3-[(4-methylnaphthalen-1-yl)methyl]carbazole
CID 153374745
ethane;9-ethylcarbazole;9-methylcarbazole;propane
CID 158486364
9-ethyl-3-[3-(2-methylphenyl)propyl]carbazole
CID 159633776
9H-carbazole;9-ethylcarbazole
CID 159391034
9-ethylcarbazole;4-ethyl-1-methyl-2-(2-methylphenyl)benzene
CID 143561149
9-[[3,5-bis(carbazol-9-ylmethyl)-2,4,6-triethylphenyl]methyl]carbazole
CID 102414026
3-N-(9-ethylcarbazol-2-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine
CID 177275887
11-ethyl-1,11,15-triazadecacyclo[25.10.1.115,22.02,14.04,12.05,10.016,21.031,38.032,37.026,39]nonatriaconta-2(14),3,5,7,9,12,16,18,20,22(39),23,25,27,29,31(38),32,34,36-octadecaene
CID 144868483

Frequently Asked Questions

What is the IUPAC name of 9-ethylcarbazole;9-[(5,8,9,10-tetramethylanthracen-1-yl)methyl]carbazole?
The IUPAC name of 9-ethylcarbazole;9-[(5,8,9,10-tetramethylanthracen-1-yl)methyl]carbazole (CID 161201438) is 9-ethylcarbazole;9-[(5,8,9,10-tetramethylanthracen-1-yl)methyl]carbazole.
What is the SMILES notation for 9-ethylcarbazole;9-[(5,8,9,10-tetramethylanthracen-1-yl)methyl]carbazole?
The canonical SMILES for 9-ethylcarbazole;9-[(5,8,9,10-tetramethylanthracen-1-yl)methyl]carbazole is CCn1c2ccccc2c2ccccc21.Cc1ccc(C)c2c(C)c3c(Cn4c5ccccc5c5ccccc54)cccc3c(C)c12.
What is the InChIKey of 9-ethylcarbazole;9-[(5,8,9,10-tetramethylanthracen-1-yl)methyl]carbazole?
The InChIKey is UVAKMALMDNNDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N.C14H13N/c1-19-16-17-20(2)30-22(4)31-23(10-9-13-24(31)21(3)29(19)30)18-32-27-14-7-5-11-25(27)26-12-6-8-15-28(26)32;1-2-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15/h5-17H,18H2,1-4H3;3-10H,2H2,1H3.
What are the key properties of 9-ethylcarbazole;9-[(5,8,9,10-tetramethylanthracen-1-yl)methyl]carbazole?
9-ethylcarbazole;9-[(5,8,9,10-tetramethylanthracen-1-yl)methyl]carbazole has a molecular weight of 608.83 g/mol, XLogP of 12.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethylcarbazole;9-[(5,8,9,10-tetramethylanthracen-1-yl)methyl]carbazole is sourced from PubChem (CID 161201438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).