2-N,2-N,2-N'-tris(4-phenylphenyl)-2-N'-[4-[3-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2,2'-diamine

C109H75N3 — CID 138662093

IUPAC2-N,2-N,2-N'-tris(4-phenylphenyl)-2-N'-[4-[3-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2,2'-diamine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5cccc(-c6ccc(N(c7ccc(-c8ccccc8)cc7)c7ccc8c(c7)C7(c9ccccc9-c9ccc(N(c%10ccc(-c%11ccccc%11)cc%10)c%10ccc(-c%11ccccc%11)cc%10)cc97)c7ccccc7-8)cc6)c5)cc4)cc3)cc2)cc1
InChIInChI=1S/C109H75N3/c1-6-21-76(22-7-1)82-41-55-92(56-42-82)110(93-57-43-83(44-58-93)77-23-8-2-9-24-77)94-59-51-87(52-60-94)81-37-39-88(40-38-81)90-31-20-32-91(73-90)89-53-67-98(68-54-89)112(97-65-49-86(50-66-97)80-29-14-5-15-30-80)100-70-72-104-102-34-17-19-36-106(102)109(108(104)75-100)105-35-18-16-33-101(105)103-71-69-99(74-107(103)109)111(95-61-45-84(46-62-95)78-25-10-3-11-26-78)96-63-47-85(48-64-96)79-27-12-4-13-28-79/h1-75H
InChIKeyYMAHABXXFXDNTR-UHFFFAOYSA-N
MW1426.82 g/mol
LogP29.78
Rot. Bonds17

About 2-N,2-N,2-N'-tris(4-phenylphenyl)-2-N'-[4-[3-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2,2'-diamine

2-N,2-N,2-N'-tris(4-phenylphenyl)-2-N'-[4-[3-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2,2'-diamine (PubChem CID 138662093) has the molecular formula C109H75N3 and a molecular weight of 1426.82 g/mol. Its IUPAC name is 2-N,2-N,2-N'-tris(4-phenylphenyl)-2-N'-[4-[3-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2,2'-diamine.

Molecular Properties

Compound Name2-N,2-N,2-N'-tris(4-phenylphenyl)-2-N'-[4-[3-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2,2'-diamine
PubChem CID138662093
Molecular FormulaC109H75N3
Molecular Weight1426.82 g/mol
Exact Mass1425.60
IUPAC Name2-N,2-N,2-N'-tris(4-phenylphenyl)-2-N'-[4-[3-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2,2'-diamine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5cccc(-c6ccc(N(c7ccc(-c8ccccc8)cc7)c7ccc8c(c7)C7(c9ccccc9-c9ccc(N(c%10ccc(-c%11ccccc%11)cc%10)c%10ccc(-c%11ccccc%11)cc%10)cc97)c7ccccc7-8)cc6)c5)cc4)cc3)cc2)cc1
InChIInChI=1S/C109H75N3/c1-6-21-76(22-7-1)82-41-55-92(56-42-82)110(93-57-43-83(44-58-93)77-23-8-2-9-24-77)94-59-51-87(52-60-94)81-37-39-88(40-38-81)90-31-20-32-91(73-90)89-53-67-98(68-54-89)112(97-65-49-86(50-66-97)80-29-14-5-15-30-80)100-70-72-104-102-34-17-19-36-106(102)109(108(104)75-100)105-35-18-16-33-101(105)103-71-69-99(74-107(103)109)111(95-61-45-84(46-62-95)78-25-10-3-11-26-78)96-63-47-85(48-64-96)79-27-12-4-13-28-79/h1-75H
InChIKeyYMAHABXXFXDNTR-UHFFFAOYSA-N
XLogP29.78
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001426.82
LogP ≤ 529.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-N,2-N,2-N'-tris(4-phenylphenyl)-2-N'-[4-[3-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2,2'-diamine 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-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 118641092
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-amine
CID 121391582
N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 155079035
N,N-bis[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 168750058
N,4-diphenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 122452266
N-[4-[4-(cyclodecapentaenyl)phenyl]-3-phenylphenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 134194372
N,N-diphenyl-3-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 121423944
2-N'-[4-(3-methylphenyl)phenyl]-7-N'-phenyl-2-N'-(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine
CID 170019632
9,9-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine;9,9-dimethyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine;9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
CID 158705063
1-N,3-N-diphenyl-1-N,3-N-bis(4-phenylphenyl)-5-[2'-(N-(4-phenylphenyl)anilino)-9,9'-spirobi[fluorene]-2-yl]benzene-1,3-diamine
CID 121361274
N-[4-(3-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138476873
2'-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 167177680

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,2-N'-tris(4-phenylphenyl)-2-N'-[4-[3-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2,2'-diamine?
The IUPAC name of 2-N,2-N,2-N'-tris(4-phenylphenyl)-2-N'-[4-[3-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2,2'-diamine (CID 138662093) is 2-N,2-N,2-N'-tris(4-phenylphenyl)-2-N'-[4-[3-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2,2'-diamine.
What is the SMILES notation for 2-N,2-N,2-N'-tris(4-phenylphenyl)-2-N'-[4-[3-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2,2'-diamine?
The canonical SMILES for 2-N,2-N,2-N'-tris(4-phenylphenyl)-2-N'-[4-[3-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2,2'-diamine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5cccc(-c6ccc(N(c7ccc(-c8ccccc8)cc7)c7ccc8c(c7)C7(c9ccccc9-c9ccc(N(c%10ccc(-c%11ccccc%11)cc%10)c%10ccc(-c%11ccccc%11)cc%10)cc97)c7ccccc7-8)cc6)c5)cc4)cc3)cc2)cc1.
What is the InChIKey of 2-N,2-N,2-N'-tris(4-phenylphenyl)-2-N'-[4-[3-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2,2'-diamine?
The InChIKey is YMAHABXXFXDNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C109H75N3/c1-6-21-76(22-7-1)82-41-55-92(56-42-82)110(93-57-43-83(44-58-93)77-23-8-2-9-24-77)94-59-51-87(52-60-94)81-37-39-88(40-38-81)90-31-20-32-91(73-90)89-53-67-98(68-54-89)112(97-65-49-86(50-66-97)80-29-14-5-15-30-80)100-70-72-104-102-34-17-19-36-106(102)109(108(104)75-100)105-35-18-16-33-101(105)103-71-69-99(74-107(103)109)111(95-61-45-84(46-62-95)78-25-10-3-11-26-78)96-63-47-85(48-64-96)79-27-12-4-13-28-79/h1-75H.
What are the key properties of 2-N,2-N,2-N'-tris(4-phenylphenyl)-2-N'-[4-[3-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2,2'-diamine?
2-N,2-N,2-N'-tris(4-phenylphenyl)-2-N'-[4-[3-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2,2'-diamine has a molecular weight of 1426.82 g/mol, XLogP of 29.78, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,2-N'-tris(4-phenylphenyl)-2-N'-[4-[3-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2,2'-diamine is sourced from PubChem (CID 138662093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).