N,N-dibenzyl-9,9'-spirobi[fluorene]-1-amine

C39H29N — CID 141429457

IUPACN,N-dibenzyl-9,9'-spirobi[fluorene]-1-amine
SMILESc1ccc(CN(Cc2ccccc2)c2cccc3c2C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C39H29N/c1-3-14-28(15-4-1)26-40(27-29-16-5-2-6-17-29)37-25-13-21-33-32-20-9-12-24-36(32)39(38(33)37)34-22-10-7-18-30(34)31-19-8-11-23-35(31)39/h1-25H,26-27H2
InChIKeyIJJKLZAVDJOTFH-UHFFFAOYSA-N
MW511.67 g/mol
LogP9.24
Rot. Bonds5

About N,N-dibenzyl-9,9'-spirobi[fluorene]-1-amine

N,N-dibenzyl-9,9'-spirobi[fluorene]-1-amine (PubChem CID 141429457) has the molecular formula C39H29N and a molecular weight of 511.67 g/mol. Its IUPAC name is N,N-dibenzyl-9,9'-spirobi[fluorene]-1-amine.

Molecular Properties

Compound NameN,N-dibenzyl-9,9'-spirobi[fluorene]-1-amine
PubChem CID141429457
Molecular FormulaC39H29N
Molecular Weight511.67 g/mol
Exact Mass511.23
IUPAC NameN,N-dibenzyl-9,9'-spirobi[fluorene]-1-amine
SMILESc1ccc(CN(Cc2ccccc2)c2cccc3c2C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C39H29N/c1-3-14-28(15-4-1)26-40(27-29-16-5-2-6-17-29)37-25-13-21-33-32-20-9-12-24-36(32)39(38(33)37)34-22-10-7-18-30(34)31-19-8-11-23-35(31)39/h1-25H,26-27H2
InChIKeyIJJKLZAVDJOTFH-UHFFFAOYSA-N
XLogP9.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.67
LogP ≤ 59.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-diethyl-9,9'-spirobi[fluorene]-1-amine;ethane
CID 159657199
N-(9,9'-spirobi[fluorene]-1-yl)-N-sulfidothiohydroxylamine
CID 156896748
4-(dibenzylamino)isoindole-1,3-dione
CID 150385559
N,N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 154409809
2-N,2-N-dibenzylbenzene-1,2-diamine
CID 23459358
CID 140863591
CID 140863591
9,9-diphenyl-N,N-bis(4-phenylphenyl)fluoren-1-amine
CID 90277808
CID 134451141
CID 134451141
N-[4-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine
CID 130308420
N-phenyl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-1-amine
CID 138477632
2-(dibenzylamino)benzonitrile
CID 83779732
2',7'-dimethyl-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 146541622

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-9,9'-spirobi[fluorene]-1-amine?
The IUPAC name of N,N-dibenzyl-9,9'-spirobi[fluorene]-1-amine (CID 141429457) is N,N-dibenzyl-9,9'-spirobi[fluorene]-1-amine.
What is the SMILES notation for N,N-dibenzyl-9,9'-spirobi[fluorene]-1-amine?
The canonical SMILES for N,N-dibenzyl-9,9'-spirobi[fluorene]-1-amine is c1ccc(CN(Cc2ccccc2)c2cccc3c2C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1.
What is the InChIKey of N,N-dibenzyl-9,9'-spirobi[fluorene]-1-amine?
The InChIKey is IJJKLZAVDJOTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H29N/c1-3-14-28(15-4-1)26-40(27-29-16-5-2-6-17-29)37-25-13-21-33-32-20-9-12-24-36(32)39(38(33)37)34-22-10-7-18-30(34)31-19-8-11-23-35(31)39/h1-25H,26-27H2.
What are the key properties of N,N-dibenzyl-9,9'-spirobi[fluorene]-1-amine?
N,N-dibenzyl-9,9'-spirobi[fluorene]-1-amine has a molecular weight of 511.67 g/mol, XLogP of 9.24, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-9,9'-spirobi[fluorene]-1-amine is sourced from PubChem (CID 141429457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).