N-fluoranthen-8-yl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine

C53H33N — CID 139498985

IUPACN-fluoranthen-8-yl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)-c3cccc5cccc-4c35)c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C53H33N/c1-2-13-34(14-3-1)35-27-29-37(30-28-35)54(38-31-32-39-43-20-10-15-36-16-11-21-44(51(36)43)46(39)33-38)50-26-12-22-45-42-19-6-9-25-49(42)53(52(45)50)47-23-7-4-17-40(47)41-18-5-8-24-48(41)53/h1-33H
InChIKeyXWFNCZUOWCWKCV-UHFFFAOYSA-N
MW683.85 g/mol
LogP13.97
Rot. Bonds4

About N-fluoranthen-8-yl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine

N-fluoranthen-8-yl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine (PubChem CID 139498985) has the molecular formula C53H33N and a molecular weight of 683.85 g/mol. Its IUPAC name is N-fluoranthen-8-yl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine.

Molecular Properties

Compound NameN-fluoranthen-8-yl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine
PubChem CID139498985
Molecular FormulaC53H33N
Molecular Weight683.85 g/mol
Exact Mass683.26
IUPAC NameN-fluoranthen-8-yl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)-c3cccc5cccc-4c35)c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C53H33N/c1-2-13-34(14-3-1)35-27-29-37(30-28-35)54(38-31-32-39-43-20-10-15-36-16-11-21-44(51(36)43)46(39)33-38)50-26-12-22-45-42-19-6-9-25-49(42)53(52(45)50)47-23-7-4-17-40(47)41-18-5-8-24-48(41)53/h1-33H
InChIKeyXWFNCZUOWCWKCV-UHFFFAOYSA-N
XLogP13.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.85
LogP ≤ 513.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-fluoranthen-8-yl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-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-(4-fluoranthen-8-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 139499028
N-[4-[4-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9,9'-spirobi[fluorene]-1-yl)amino]phenyl]phenyl]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 155005492
N-[4-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine
CID 130308420
N-(9,9-dimethylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine
CID 168750038
N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[benzo[a]fluorene-11,9'-fluorene]-2-amine
CID 145144966
2',7'-dimethyl-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 146541622
N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-1-amine
CID 134528163
4-N-(9,9-dimethylfluoren-2-yl)-1-N'-(9,9-dimethylfluoren-4-yl)-4-N-phenyl-1-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1',4-diamine
CID 135271139
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[8-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]fluoren-2-amine
CID 130379426
9,9-diphenyl-N,N-bis(4-phenylphenyl)fluoren-1-amine
CID 90277808
N-(9,9-dimethylfluoren-4-yl)-N-[4-(2,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine
CID 135271121
N-(9,9-dimethylfluoren-1-yl)-6-phenyl-N-[4-(2-phenylphenyl)phenyl]spiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine
CID 168811969

Frequently Asked Questions

What is the IUPAC name of N-fluoranthen-8-yl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine?
The IUPAC name of N-fluoranthen-8-yl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine (CID 139498985) is N-fluoranthen-8-yl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine.
What is the SMILES notation for N-fluoranthen-8-yl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine?
The canonical SMILES for N-fluoranthen-8-yl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)-c3cccc5cccc-4c35)c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1.
What is the InChIKey of N-fluoranthen-8-yl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine?
The InChIKey is XWFNCZUOWCWKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N/c1-2-13-34(14-3-1)35-27-29-37(30-28-35)54(38-31-32-39-43-20-10-15-36-16-11-21-44(51(36)43)46(39)33-38)50-26-12-22-45-42-19-6-9-25-49(42)53(52(45)50)47-23-7-4-17-40(47)41-18-5-8-24-48(41)53/h1-33H.
What are the key properties of N-fluoranthen-8-yl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine?
N-fluoranthen-8-yl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine has a molecular weight of 683.85 g/mol, XLogP of 13.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoranthen-8-yl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine is sourced from PubChem (CID 139498985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).