N-(3,6-dimethyl-9H-carbazol-1-yl)-3-ethylfluoren-9-imine

C29H24N2 — CID 19991285

IUPACN-(3,6-dimethyl-9H-carbazol-1-yl)-3-ethylfluoren-9-imine
SMILESCCc1ccc2c(c1)-c1ccccc1/C2=N\c1cc(C)cc2c1[nH]c1ccc(C)cc12
InChIInChI=1S/C29H24N2/c1-4-19-10-11-22-23(16-19)20-7-5-6-8-21(20)28(22)31-27-15-18(3)14-25-24-13-17(2)9-12-26(24)30-29(25)27/h5-16,30H,4H2,1-3H3/b31-28+
InChIKeyBKFMDXPFSXWRDE-CCFHIKDMSA-N
MW400.53 g/mol
LogP7.65
Rot. Bonds2

About N-(3,6-dimethyl-9H-carbazol-1-yl)-3-ethylfluoren-9-imine

N-(3,6-dimethyl-9H-carbazol-1-yl)-3-ethylfluoren-9-imine (PubChem CID 19991285) has the molecular formula C29H24N2 and a molecular weight of 400.53 g/mol. Its IUPAC name is N-(3,6-dimethyl-9H-carbazol-1-yl)-3-ethylfluoren-9-imine.

Molecular Properties

Compound NameN-(3,6-dimethyl-9H-carbazol-1-yl)-3-ethylfluoren-9-imine
PubChem CID19991285
Molecular FormulaC29H24N2
Molecular Weight400.53 g/mol
Exact Mass400.19
IUPAC NameN-(3,6-dimethyl-9H-carbazol-1-yl)-3-ethylfluoren-9-imine
SMILESCCc1ccc2c(c1)-c1ccccc1/C2=N\c1cc(C)cc2c1[nH]c1ccc(C)cc12
InChIInChI=1S/C29H24N2/c1-4-19-10-11-22-23(16-19)20-7-5-6-8-21(20)28(22)31-27-15-18(3)14-25-24-13-17(2)9-12-26(24)30-29(25)27/h5-16,30H,4H2,1-3H3/b31-28+
InChIKeyBKFMDXPFSXWRDE-CCFHIKDMSA-N
XLogP7.65
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.53
LogP ≤ 57.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,6-dimethyl-9H-carbazol-1-yl)-3-ethylfluoren-9-imine?
The IUPAC name of N-(3,6-dimethyl-9H-carbazol-1-yl)-3-ethylfluoren-9-imine (CID 19991285) is N-(3,6-dimethyl-9H-carbazol-1-yl)-3-ethylfluoren-9-imine.
What is the SMILES notation for N-(3,6-dimethyl-9H-carbazol-1-yl)-3-ethylfluoren-9-imine?
The canonical SMILES for N-(3,6-dimethyl-9H-carbazol-1-yl)-3-ethylfluoren-9-imine is CCc1ccc2c(c1)-c1ccccc1/C2=N\c1cc(C)cc2c1[nH]c1ccc(C)cc12.
What is the InChIKey of N-(3,6-dimethyl-9H-carbazol-1-yl)-3-ethylfluoren-9-imine?
The InChIKey is BKFMDXPFSXWRDE-CCFHIKDMSA-N. The full InChI is InChI=1S/C29H24N2/c1-4-19-10-11-22-23(16-19)20-7-5-6-8-21(20)28(22)31-27-15-18(3)14-25-24-13-17(2)9-12-26(24)30-29(25)27/h5-16,30H,4H2,1-3H3/b31-28+.
What are the key properties of N-(3,6-dimethyl-9H-carbazol-1-yl)-3-ethylfluoren-9-imine?
N-(3,6-dimethyl-9H-carbazol-1-yl)-3-ethylfluoren-9-imine has a molecular weight of 400.53 g/mol, XLogP of 7.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dimethyl-9H-carbazol-1-yl)-3-ethylfluoren-9-imine is sourced from PubChem (CID 19991285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).