N-[2,6-di(propan-2-yl)phenyl]-1,2,3,4-tetrahydrofluoren-9-imine

C25H29N — CID 46867979

IUPACN-[2,6-di(propan-2-yl)phenyl]-1,2,3,4-tetrahydrofluoren-9-imine
SMILESCC(C)c1cccc(C(C)C)c1N=C1C2=C(CCCC2)c2ccccc21
InChIInChI=1S/C25H29N/c1-16(2)18-14-9-15-19(17(3)4)24(18)26-25-22-12-7-5-10-20(22)21-11-6-8-13-23(21)25/h5,7,9-10,12,14-17H,6,8,11,13H2,1-4H3
InChIKeyDELLLRTYGLVBCN-UHFFFAOYSA-N
MW343.51 g/mol
LogP7.40
Rot. Bonds3

About N-[2,6-di(propan-2-yl)phenyl]-1,2,3,4-tetrahydrofluoren-9-imine

N-[2,6-di(propan-2-yl)phenyl]-1,2,3,4-tetrahydrofluoren-9-imine (PubChem CID 46867979) has the molecular formula C25H29N and a molecular weight of 343.51 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-1,2,3,4-tetrahydrofluoren-9-imine.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-1,2,3,4-tetrahydrofluoren-9-imine
PubChem CID46867979
Molecular FormulaC25H29N
Molecular Weight343.51 g/mol
Exact Mass343.23
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-1,2,3,4-tetrahydrofluoren-9-imine
SMILESCC(C)c1cccc(C(C)C)c1N=C1C2=C(CCCC2)c2ccccc21
InChIInChI=1S/C25H29N/c1-16(2)18-14-9-15-19(17(3)4)24(18)26-25-22-12-7-5-10-20(22)21-11-6-8-13-23(21)25/h5,7,9-10,12,14-17H,6,8,11,13H2,1-4H3
InChIKeyDELLLRTYGLVBCN-UHFFFAOYSA-N
XLogP7.40
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.51
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-N,10-N-bis[2,6-di(propan-2-yl)phenyl]phenanthrene-9,10-diimine;oxolane
CID 139157818
N-[2,6-di(propan-2-yl)phenyl]pyrrolo[1,2-a]indol-4-imine
CID 46867838
1-N-(4-chlorophenyl)-2-N-[2,6-di(propan-2-yl)phenyl]acenaphthylene-1,2-diimine
CID 90084908
1-N,2-N-bis[2,6-di(propan-2-yl)phenyl]-3,3a-dihydroacenaphthylene-1,2-diimine
CID 91376559
4-[[2-[2,6-di(propan-2-yl)phenyl]iminoacenaphthylen-1-ylidene]amino]-N,N-dimethylaniline
CID 90084884
[2,6-di(propan-2-yl)phenyl]iminotantalum
CID 10864957
1-N,2-N-bis[4-methyl-2,6-di(propan-2-yl)phenyl]acenaphthylene-1,2-diimine
CID 102242944
2-N-[2,6-di(propan-2-yl)phenyl]-1-N-[4-(trifluoromethyl)phenyl]acenaphthylene-1,2-diimine
CID 90086005
10-[2,6-di(propan-2-yl)anilino]phenanthren-9-olate;bis(10-[2,6-di(propan-2-yl)phenyl]iminophenanthren-9-one);iron
CID 139169523
[2,6-di(propan-2-yl)phenyl]iminotitanium(2+)
CID 11564443
3-[2,6-di(propan-2-yl)phenyl]imino-1,4,7-trimethylindol-2-one
CID 139203243
1-N-(2,5-ditert-butylphenyl)-2-N-[2,6-di(propan-2-yl)phenyl]cyclohexane-1,2-diimine;nickel
CID 87860447

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-1,2,3,4-tetrahydrofluoren-9-imine?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-1,2,3,4-tetrahydrofluoren-9-imine (CID 46867979) is N-[2,6-di(propan-2-yl)phenyl]-1,2,3,4-tetrahydrofluoren-9-imine.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-1,2,3,4-tetrahydrofluoren-9-imine?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-1,2,3,4-tetrahydrofluoren-9-imine is CC(C)c1cccc(C(C)C)c1N=C1C2=C(CCCC2)c2ccccc21.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-1,2,3,4-tetrahydrofluoren-9-imine?
The InChIKey is DELLLRTYGLVBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N/c1-16(2)18-14-9-15-19(17(3)4)24(18)26-25-22-12-7-5-10-20(22)21-11-6-8-13-23(21)25/h5,7,9-10,12,14-17H,6,8,11,13H2,1-4H3.
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-1,2,3,4-tetrahydrofluoren-9-imine?
N-[2,6-di(propan-2-yl)phenyl]-1,2,3,4-tetrahydrofluoren-9-imine has a molecular weight of 343.51 g/mol, XLogP of 7.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-1,2,3,4-tetrahydrofluoren-9-imine is sourced from PubChem (CID 46867979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).