N-[3-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine

C50H33N — CID 138519337

IUPACN-[3-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(C2(c3cccc(Nc4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C50H33N/c1-2-15-33(16-3-1)49(43-24-9-4-19-37(43)38-20-5-10-25-44(38)49)34-17-14-18-35(31-34)51-36-29-30-42-41-23-8-13-28-47(41)50(48(42)32-36)45-26-11-6-21-39(45)40-22-7-12-27-46(40)50/h1-32,51H
InChIKeyMNYUUXARJCTFIW-UHFFFAOYSA-N
MW647.82 g/mol
LogP12.14
Rot. Bonds4

About N-[3-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine

N-[3-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine (PubChem CID 138519337) has the molecular formula C50H33N and a molecular weight of 647.82 g/mol. Its IUPAC name is N-[3-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-[3-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
PubChem CID138519337
Molecular FormulaC50H33N
Molecular Weight647.82 g/mol
Exact Mass647.26
IUPAC NameN-[3-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(C2(c3cccc(Nc4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C50H33N/c1-2-15-33(16-3-1)49(43-24-9-4-19-37(43)38-20-5-10-25-44(38)49)34-17-14-18-35(31-34)51-36-29-30-42-41-23-8-13-28-47(41)50(48(42)32-36)45-26-11-6-21-39(45)40-22-7-12-27-46(40)50/h1-32,51H
InChIKeyMNYUUXARJCTFIW-UHFFFAOYSA-N
XLogP12.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.82
LogP ≤ 512.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[3-(9-phenylfluoren-9-yl)phenyl]-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

N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine
CID 121423904
1-N,4-N-bis(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine
CID 122468678
9,9-diphenyl-N-(4-triphenylsilylphenyl)fluoren-2-amine
CID 175823474
3-N-(9,9-diphenylfluoren-2-yl)-1-N-(3-methylphenyl)-5-phenylbenzene-1,3-diamine
CID 139380106
N-(2-chlorophenyl)-9,9-diphenylfluoren-2-amine
CID 126695799
2-N,7-N-bis(4-fluorophenyl)-9,9-diphenylfluorene-2,7-diamine
CID 172547033
N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine
CID 177113841
dibenzothiophene;9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
CID 142480827
N-(cyclohexen-1-yl)-9,9-diphenylfluoren-2-amine
CID 138581690
N-(4-dibenzofuran-1-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 175441653
3-methyl-N-phenyl-5-(9-phenylfluoren-9-yl)aniline
CID 129026642
N-(3,5-diphenylphenyl)-5,9,9-triphenylfluoren-2-amine
CID 142604757

Frequently Asked Questions

What is the IUPAC name of N-[3-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-[3-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine (CID 138519337) is N-[3-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-[3-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-[3-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine is c1ccc(C2(c3cccc(Nc4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of N-[3-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is MNYUUXARJCTFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N/c1-2-15-33(16-3-1)49(43-24-9-4-19-37(43)38-20-5-10-25-44(38)49)34-17-14-18-35(31-34)51-36-29-30-42-41-23-8-13-28-47(41)50(48(42)32-36)45-26-11-6-21-39(45)40-22-7-12-27-46(40)50/h1-32,51H.
What are the key properties of N-[3-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
N-[3-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 647.82 g/mol, XLogP of 12.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 138519337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).