2-methylprop-1-ene;N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine

C39H31N — CID 145077293

IUPAC2-methylprop-1-ene;N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine
SMILESC=C(C)C.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(Nc3ccc4ccccc4c3)cc21
InChIInChI=1S/C35H23N.C4H8/c1-2-10-24-21-25(18-17-23(24)9-1)36-26-19-20-30-29-13-5-8-16-33(29)35(34(30)22-26)31-14-6-3-11-27(31)28-12-4-7-15-32(28)35;1-4(2)3/h1-22,36H;1H2,2-3H3
InChIKeyAVSXMTCISVLMKW-UHFFFAOYSA-N
MW513.68 g/mol
LogP10.51
Rot. Bonds2

About 2-methylprop-1-ene;N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine

2-methylprop-1-ene;N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine (PubChem CID 145077293) has the molecular formula C39H31N and a molecular weight of 513.68 g/mol. Its IUPAC name is 2-methylprop-1-ene;N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound Name2-methylprop-1-ene;N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine
PubChem CID145077293
Molecular FormulaC39H31N
Molecular Weight513.68 g/mol
Exact Mass513.25
IUPAC Name2-methylprop-1-ene;N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine
SMILESC=C(C)C.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(Nc3ccc4ccccc4c3)cc21
InChIInChI=1S/C35H23N.C4H8/c1-2-10-24-21-25(18-17-23(24)9-1)36-26-19-20-30-29-13-5-8-16-33(29)35(34(30)22-26)31-14-6-3-11-27(31)28-12-4-7-15-32(28)35;1-4(2)3/h1-22,36H;1H2,2-3H3
InChIKeyAVSXMTCISVLMKW-UHFFFAOYSA-N
XLogP10.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.68
LogP ≤ 510.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-N,4-N-bis(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine
CID 122468678
9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 58453890
N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine
CID 177113841
N-(4-tert-butylphenyl)naphthalen-2-amine;9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine;N-naphthalen-2-yl-9,9-diphenylfluoren-2-amine;N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 162082331
9,9-bis(4-tert-butylphenyl)-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoren-2-amine
CID 177114050
9,9-dimethyl-N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]fluoren-2-amine
CID 177113997
N-[3-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 138519337
N-(4-naphthalen-2-ylphenyl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
CID 59372431
N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine
CID 121423904
ethane;naphthalene;9,9'-spirobi[fluorene]
CID 162036420
N-[3-[3-[(Z)-prop-1-enyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 170153572
N-(9,9-dimethylfluoren-2-yl)-9,9,10,10-tetramethylanthracen-2-amine
CID 166647046

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-1-ene;N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of 2-methylprop-1-ene;N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine (CID 145077293) is 2-methylprop-1-ene;N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for 2-methylprop-1-ene;N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for 2-methylprop-1-ene;N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine is C=C(C)C.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(Nc3ccc4ccccc4c3)cc21.
What is the InChIKey of 2-methylprop-1-ene;N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is AVSXMTCISVLMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23N.C4H8/c1-2-10-24-21-25(18-17-23(24)9-1)36-26-19-20-30-29-13-5-8-16-33(29)35(34(30)22-26)31-14-6-3-11-27(31)28-12-4-7-15-32(28)35;1-4(2)3/h1-22,36H;1H2,2-3H3.
What are the key properties of 2-methylprop-1-ene;N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine?
2-methylprop-1-ene;N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 513.68 g/mol, XLogP of 10.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-1-ene;N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 145077293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).