N-(9,9-dimethylfluoren-3-yl)-N-methylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-1-amine

C37H35N — CID 155041623

IUPACN-(9,9-dimethylfluoren-3-yl)-N-methylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-1-amine
SMILESCN(c1ccc2c(c1)-c1ccccc1C2(C)C)c1cccc2c1C1(c3ccccc3-2)C2CC3CC(C2)C1C3
InChIInChI=1S/C37H35N/c1-36(2)30-12-6-4-10-27(30)29-21-25(15-16-31(29)36)38(3)34-14-8-11-28-26-9-5-7-13-32(26)37(35(28)34)24-18-22-17-23(20-24)33(37)19-22/h4-16,21-24,33H,17-20H2,1-3H3
InChIKeyFLQPUNKDUBFNDM-UHFFFAOYSA-N
MW493.69 g/mol
LogP9.09
Rot. Bonds2

About N-(9,9-dimethylfluoren-3-yl)-N-methylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-1-amine

N-(9,9-dimethylfluoren-3-yl)-N-methylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-1-amine (PubChem CID 155041623) has the molecular formula C37H35N and a molecular weight of 493.69 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-3-yl)-N-methylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-1-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-3-yl)-N-methylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-1-amine
PubChem CID155041623
Molecular FormulaC37H35N
Molecular Weight493.69 g/mol
Exact Mass493.28
IUPAC NameN-(9,9-dimethylfluoren-3-yl)-N-methylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-1-amine
SMILESCN(c1ccc2c(c1)-c1ccccc1C2(C)C)c1cccc2c1C1(c3ccccc3-2)C2CC3CC(C2)C1C3
InChIInChI=1S/C37H35N/c1-36(2)30-12-6-4-10-27(30)29-21-25(15-16-31(29)36)38(3)34-14-8-11-28-26-9-5-7-13-32(26)37(35(28)34)24-18-22-17-23(20-24)33(37)19-22/h4-16,21-24,33H,17-20H2,1-3H3
InChIKeyFLQPUNKDUBFNDM-UHFFFAOYSA-N
XLogP9.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.69
LogP ≤ 59.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-(2,4-diphenylphenyl)-6-phenylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-3-amine
CID 170085576
2,7,9,9-tetramethyl-N-phenyl-N-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-1-ylspiro[anthracene-10,9'-fluorene]-4'-amine
CID 155409026
N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[adamantane-2,9'-fluorene]-1'-amine
CID 156567349
N-(20,20-dimethyl-17-phenyl-4-pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2(7),3,5,8,10,12,14(19),15,17,21,23-dodecaenyl)-N-[3-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-1'-amine
CID 155407455
N-[4-(5-heptacyclo[10.8.1.114,18.01,16.02,7.08,21.013,20]docosa-2(7),3,5,8(21),9,11-hexaenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 156573739
N-(9,9-dimethylfluoren-1-yl)-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 168722400
N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567514
9,9-dimethyl-2,7-diphenyl-N-[3-(3-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[anthracene-10,9'-fluorene]-3'-amine
CID 167413773
N-(4-tert-butylphenyl)-N-methylspiro[adamantane-2,9'-fluorene]-3'-amine
CID 155041617
(3'R)-7-bromo-N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-amine
CID 163949625
N-(9,9-dimethylfluoren-2-yl)-6'-phenyl-N-(3-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 170085916
9,9-dimethyl-N-(4-phenylphenyl)-N-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-4-amine
CID 156567971

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-3-yl)-N-methylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-1-amine?
The IUPAC name of N-(9,9-dimethylfluoren-3-yl)-N-methylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-1-amine (CID 155041623) is N-(9,9-dimethylfluoren-3-yl)-N-methylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-1-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-3-yl)-N-methylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-1-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-3-yl)-N-methylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-1-amine is CN(c1ccc2c(c1)-c1ccccc1C2(C)C)c1cccc2c1C1(c3ccccc3-2)C2CC3CC(C2)C1C3.
What is the InChIKey of N-(9,9-dimethylfluoren-3-yl)-N-methylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-1-amine?
The InChIKey is FLQPUNKDUBFNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H35N/c1-36(2)30-12-6-4-10-27(30)29-21-25(15-16-31(29)36)38(3)34-14-8-11-28-26-9-5-7-13-32(26)37(35(28)34)24-18-22-17-23(20-24)33(37)19-22/h4-16,21-24,33H,17-20H2,1-3H3.
What are the key properties of N-(9,9-dimethylfluoren-3-yl)-N-methylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-1-amine?
N-(9,9-dimethylfluoren-3-yl)-N-methylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-1-amine has a molecular weight of 493.69 g/mol, XLogP of 9.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-3-yl)-N-methylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-1-amine is sourced from PubChem (CID 155041623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).