3'-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2'-amine

C40H29N — CID 156902667

IUPAC3'-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc4c(cc3N)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21
InChIInChI=1S/C40H29N/c1-39(2)32-15-7-3-11-25(32)29-20-19-24(21-36(29)39)30-22-31-28-14-6-10-18-35(28)40(37(31)23-38(30)41)33-16-8-4-12-26(33)27-13-5-9-17-34(27)40/h3-23H,41H2,1-2H3
InChIKeyHAUQPPRPOZQYNK-UHFFFAOYSA-N
MW523.68 g/mol
LogP9.59
Rot. Bonds1

About 3'-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2'-amine

3'-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2'-amine (PubChem CID 156902667) has the molecular formula C40H29N and a molecular weight of 523.68 g/mol. Its IUPAC name is 3'-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2'-amine.

Molecular Properties

Compound Name3'-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2'-amine
PubChem CID156902667
Molecular FormulaC40H29N
Molecular Weight523.68 g/mol
Exact Mass523.23
IUPAC Name3'-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc4c(cc3N)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21
InChIInChI=1S/C40H29N/c1-39(2)32-15-7-3-11-25(32)29-20-19-24(21-36(29)39)30-22-31-28-14-6-10-18-35(28)40(37(31)23-38(30)41)33-16-8-4-12-26(33)27-13-5-9-17-34(27)40/h3-23H,41H2,1-2H3
InChIKeyHAUQPPRPOZQYNK-UHFFFAOYSA-N
XLogP9.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.68
LogP ≤ 59.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3'-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2'-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluorene
CID 59133432
2-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-4'-amine
CID 155714935
CID 140720702
CID 140720702
9,9-dimethylfluoren-2-amine;sulfane
CID 142283327
2-[3,5-bis[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 101336380
2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58881238
9,9-dimethyl-2-(2-methylphenyl)fluorene
CID 58389997
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 118298633
2,3-bis(9,9'-spirobi[fluorene]-2-yl)aniline
CID 90756938
3,9,9-trimethyl-2,7-bis(3,9,9-trimethylfluoren-2-yl)fluorene
CID 59782429
2,6-bis(9,9-dimethylfluoren-3-yl)spiro[fluorene-9,19'-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaene]
CID 123740748
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 146247632

Frequently Asked Questions

What is the IUPAC name of 3'-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2'-amine?
The IUPAC name of 3'-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2'-amine (CID 156902667) is 3'-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2'-amine.
What is the SMILES notation for 3'-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2'-amine?
The canonical SMILES for 3'-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2'-amine is CC1(C)c2ccccc2-c2ccc(-c3cc4c(cc3N)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21.
What is the InChIKey of 3'-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2'-amine?
The InChIKey is HAUQPPRPOZQYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H29N/c1-39(2)32-15-7-3-11-25(32)29-20-19-24(21-36(29)39)30-22-31-28-14-6-10-18-35(28)40(37(31)23-38(30)41)33-16-8-4-12-26(33)27-13-5-9-17-34(27)40/h3-23H,41H2,1-2H3.
What are the key properties of 3'-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2'-amine?
3'-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2'-amine has a molecular weight of 523.68 g/mol, XLogP of 9.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 156902667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).