N-propan-2-yl-N-(9,9'-spirobi[fluorene]-2-ylmethyl)aniline

C35H29N — CID 167208801

IUPACN-propan-2-yl-N-(9,9'-spirobi[fluorene]-2-ylmethyl)aniline
SMILESCC(C)N(Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2)c1ccccc1
InChIInChI=1S/C35H29N/c1-24(2)36(26-12-4-3-5-13-26)23-25-20-21-30-29-16-8-11-19-33(29)35(34(30)22-25)31-17-9-6-14-27(31)28-15-7-10-18-32(28)35/h3-22,24H,23H2,1-2H3
InChIKeyTZTBSPYTIPFOAI-UHFFFAOYSA-N
MW463.62 g/mol
LogP8.45
Rot. Bonds4

About N-propan-2-yl-N-(9,9'-spirobi[fluorene]-2-ylmethyl)aniline

N-propan-2-yl-N-(9,9'-spirobi[fluorene]-2-ylmethyl)aniline (PubChem CID 167208801) has the molecular formula C35H29N and a molecular weight of 463.62 g/mol. Its IUPAC name is N-propan-2-yl-N-(9,9'-spirobi[fluorene]-2-ylmethyl)aniline.

Molecular Properties

Compound NameN-propan-2-yl-N-(9,9'-spirobi[fluorene]-2-ylmethyl)aniline
PubChem CID167208801
Molecular FormulaC35H29N
Molecular Weight463.62 g/mol
Exact Mass463.23
IUPAC NameN-propan-2-yl-N-(9,9'-spirobi[fluorene]-2-ylmethyl)aniline
SMILESCC(C)N(Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2)c1ccccc1
InChIInChI=1S/C35H29N/c1-24(2)36(26-12-4-3-5-13-26)23-25-20-21-30-29-16-8-11-19-33(29)35(34(30)22-25)31-17-9-6-14-27(31)28-15-7-10-18-32(28)35/h3-22,24H,23H2,1-2H3
InChIKeyTZTBSPYTIPFOAI-UHFFFAOYSA-N
XLogP8.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.62
LogP ≤ 58.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2,7'-bis(diethylaminomethyl)-9,9'-spirobi[fluorene]-2'-yl]methyl]-N-ethylethanamine
CID 122543015
N-(9,9'-spirobi[fluorene]-2-ylmethyl)-N-(triphenylen-2-ylmethyl)aniline
CID 158201137
9,9-diphenylfluorene;N-[(9,9-diphenylfluoren-2-yl)methyl]-N-ethylethanamine;ethane
CID 157306926
N,N-bis[(9,9-dimethylfluoren-2-yl)methyl]ethanamine;N,N-bis(9,9'-spirobi[fluorene]-2-ylmethyl)ethanamine;N-[(9,9-diphenylfluoren-2-yl)methyl]-N-(9,9'-spirobi[fluorene]-2-ylmethyl)ethanamine;ethane
CID 157264085
2-benzylspiro[fluorene-9,9'-xanthene]
CID 155763710
1-[2'-[(dimethylamino)methyl]spiro[10H-anthracene-9,9'-fluorene]-2-yl]-N,N-dimethylmethanamine;1-[7'-[(dimethylamino)methyl]spiro[9H-anthracene-10,9'-fluorene]-2'-yl]-N,N-dimethylmethanamine;methane
CID 160791086
2'-ethyl-9,9-dimethylspiro[anthracene-10,9'-fluorene]
CID 142481262
2,2',7'-trimethyl-9,9'-spirobi[fluorene]
CID 20807057
N-[(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-2'-yl)methyl]-N-(9,9-diphenylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 174284982
1-N,1-N,4-N-triphenyl-4-N-[7'-[1-phenyl-3-[4-(N-phenylanilino)phenyl]butan-2-yl]-9,9'-spirobi[fluorene]-2'-yl]benzene-1,4-diamine
CID 143437974
[7-(N-(9,9-diphenylfluoren-2-yl)anilino)-9,9-diphenylfluoren-2-yl]methanol
CID 139983986
4-N-[2',7'-di(propan-2-yloxy)-9,9'-spirobi[fluorene]-2-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 129091638

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-(9,9'-spirobi[fluorene]-2-ylmethyl)aniline?
The IUPAC name of N-propan-2-yl-N-(9,9'-spirobi[fluorene]-2-ylmethyl)aniline (CID 167208801) is N-propan-2-yl-N-(9,9'-spirobi[fluorene]-2-ylmethyl)aniline.
What is the SMILES notation for N-propan-2-yl-N-(9,9'-spirobi[fluorene]-2-ylmethyl)aniline?
The canonical SMILES for N-propan-2-yl-N-(9,9'-spirobi[fluorene]-2-ylmethyl)aniline is CC(C)N(Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2)c1ccccc1.
What is the InChIKey of N-propan-2-yl-N-(9,9'-spirobi[fluorene]-2-ylmethyl)aniline?
The InChIKey is TZTBSPYTIPFOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H29N/c1-24(2)36(26-12-4-3-5-13-26)23-25-20-21-30-29-16-8-11-19-33(29)35(34(30)22-25)31-17-9-6-14-27(31)28-15-7-10-18-32(28)35/h3-22,24H,23H2,1-2H3.
What are the key properties of N-propan-2-yl-N-(9,9'-spirobi[fluorene]-2-ylmethyl)aniline?
N-propan-2-yl-N-(9,9'-spirobi[fluorene]-2-ylmethyl)aniline has a molecular weight of 463.62 g/mol, XLogP of 8.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-(9,9'-spirobi[fluorene]-2-ylmethyl)aniline is sourced from PubChem (CID 167208801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).