[5'-(aminomethyl)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl]methanamine

C30H28N2 — CID 142480538

IUPAC[5'-(aminomethyl)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl]methanamine
SMILESCC1(C)c2ccccc2C2(c3ccc(CN)cc3-c3c(CN)cccc32)c2ccccc21
InChIInChI=1S/C30H28N2/c1-29(2)23-9-3-5-11-25(23)30(26-12-6-4-10-24(26)29)22-15-14-19(17-31)16-21(22)28-20(18-32)8-7-13-27(28)30/h3-16H,17-18,31-32H2,1-2H3
InChIKeyZNJTYZPXYOVJLJ-UHFFFAOYSA-N
MW416.57 g/mol
LogP5.61
Rot. Bonds2

About [5'-(aminomethyl)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl]methanamine

[5'-(aminomethyl)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl]methanamine (PubChem CID 142480538) has the molecular formula C30H28N2 and a molecular weight of 416.57 g/mol. Its IUPAC name is [5'-(aminomethyl)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl]methanamine.

Molecular Properties

Compound Name[5'-(aminomethyl)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl]methanamine
PubChem CID142480538
Molecular FormulaC30H28N2
Molecular Weight416.57 g/mol
Exact Mass416.23
IUPAC Name[5'-(aminomethyl)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl]methanamine
SMILESCC1(C)c2ccccc2C2(c3ccc(CN)cc3-c3c(CN)cccc32)c2ccccc21
InChIInChI=1S/C30H28N2/c1-29(2)23-9-3-5-11-25(23)30(26-12-6-4-10-24(26)29)22-15-14-19(17-31)16-21(22)28-20(18-32)8-7-13-27(28)30/h3-16H,17-18,31-32H2,1-2H3
InChIKeyZNJTYZPXYOVJLJ-UHFFFAOYSA-N
XLogP5.61
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.57
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5'-benzyl-3',9,9-trimethylspiro[anthracene-10,9'-fluorene]
CID 142480511
4',9,9-trimethylspiro[anthracene-10,9'-fluorene]
CID 142504465
3'-benzyl-5'-(cyclohexa-2,4-dien-1-ylmethyl)-9,9-dimethylspiro[anthracene-10,9'-fluorene]
CID 142480319
9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-amine
CID 142504362
2'-ethyl-9,9-dimethylspiro[anthracene-10,9'-fluorene]
CID 142481262
(9,9,10,10-tetramethyl-5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,15,17,19,21-decaenyl)methanamine
CID 176798507
[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]methanamine
CID 145110816
N-[[4'-(diethylaminomethyl)-9,9'-spirobi[fluorene]-4-yl]methyl]-N-ethylethanamine;N-[[6-(diethylaminomethyl)-9,9'-spirobi[fluorene]-3-yl]methyl]-N-ethylethanamine;ethane;N-ethyl-N-(9,9'-spirobi[fluorene]-1'-ylmethyl)ethanamine;N-ethyl-N-(9,9'-spirobi[fluorene]-2-ylmethyl)ethanamine;N-ethyl-N-(9,9'-spirobi[fluorene]-3-ylmethyl)ethanamine;N-ethyl-N-(9,9'-spirobi[fluorene]-4'-ylmethyl)ethanamine
CID 162017563
4'-methyl-9,9'-spirobi[fluorene]
CID 91359179
4'-[(4-phenylphenyl)methyl]-9,9'-spirobi[fluorene]
CID 147357174
[2-[2-(aminomethyl)-6-ethylphenyl]-4-(bromomethyl)phenyl]methanamine
CID 145124242
4'-[(11,11,12-trimethylindeno[2,1-a]fluoren-12-yl)methyl]-9,9'-spirobi[fluorene]
CID 142373827

Frequently Asked Questions

What is the IUPAC name of [5'-(aminomethyl)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl]methanamine?
The IUPAC name of [5'-(aminomethyl)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl]methanamine (CID 142480538) is [5'-(aminomethyl)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl]methanamine.
What is the SMILES notation for [5'-(aminomethyl)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl]methanamine?
The canonical SMILES for [5'-(aminomethyl)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl]methanamine is CC1(C)c2ccccc2C2(c3ccc(CN)cc3-c3c(CN)cccc32)c2ccccc21.
What is the InChIKey of [5'-(aminomethyl)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl]methanamine?
The InChIKey is ZNJTYZPXYOVJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2/c1-29(2)23-9-3-5-11-25(23)30(26-12-6-4-10-24(26)29)22-15-14-19(17-31)16-21(22)28-20(18-32)8-7-13-27(28)30/h3-16H,17-18,31-32H2,1-2H3.
What are the key properties of [5'-(aminomethyl)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl]methanamine?
[5'-(aminomethyl)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl]methanamine has a molecular weight of 416.57 g/mol, XLogP of 5.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5'-(aminomethyl)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl]methanamine is sourced from PubChem (CID 142480538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).