N,N-bis[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine

C61H41N — CID 168750058

IUPACN,N-bis[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine
SMILESc1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5cccc(-c6ccccc6)c5)cc4)c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5ccccc54)cc3)c2)cc1
InChIInChI=1S/C61H41N/c1-3-15-42(16-4-1)46-19-13-21-48(39-46)44-29-33-50(34-30-44)62(51-35-31-45(32-36-51)49-22-14-20-47(40-49)43-17-5-2-6-18-43)52-37-38-60-56(41-52)55-25-9-12-28-59(55)61(60)57-26-10-7-23-53(57)54-24-8-11-27-58(54)61/h1-41H
InChIKeyFWDFGTADCKTDPR-UHFFFAOYSA-N
MW788.01 g/mol
LogP16.17
Rot. Bonds7

About N,N-bis[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine

N,N-bis[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine (PubChem CID 168750058) has the molecular formula C61H41N and a molecular weight of 788.01 g/mol. Its IUPAC name is N,N-bis[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine.

Molecular Properties

Compound NameN,N-bis[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine
PubChem CID168750058
Molecular FormulaC61H41N
Molecular Weight788.01 g/mol
Exact Mass787.32
IUPAC NameN,N-bis[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine
SMILESc1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5cccc(-c6ccccc6)c5)cc4)c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5ccccc54)cc3)c2)cc1
InChIInChI=1S/C61H41N/c1-3-15-42(16-4-1)46-19-13-21-48(39-46)44-29-33-50(34-30-44)62(51-35-31-45(32-36-51)49-22-14-20-47(40-49)43-17-5-2-6-18-43)52-37-38-60-56(41-52)55-25-9-12-28-59(55)61(60)57-26-10-7-23-53(57)54-24-8-11-27-58(54)61/h1-41H
InChIKeyFWDFGTADCKTDPR-UHFFFAOYSA-N
XLogP16.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.01
LogP ≤ 516.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N,N-bis[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-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-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 166663853
3-N,3-N,3-N',3-N'-tetrakis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine
CID 167236339
3-N-phenyl-3-N,3-N',3-N'-tris(3-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine
CID 167177981
2'-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 167177680
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
N-(4-phenylphenyl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 167176838
N-(9,9-diphenylfluoren-3-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 121423858
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine;N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-3-amine
CID 161038033
N-(4-bromophenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 126702741
N-[4-(3-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 170116685
N,N-diphenyl-4-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]-10'-ylaniline
CID 130262865
4-N-[9-(6-bicyclo[3.1.0]hexa-1(6),2,4-trienyl)-9-phenylspiro[anthracene-10,9'-fluorene]-3'-yl]-1-N,4-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 138667092

Frequently Asked Questions

What is the IUPAC name of N,N-bis[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine?
The IUPAC name of N,N-bis[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine (CID 168750058) is N,N-bis[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine.
What is the SMILES notation for N,N-bis[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine?
The canonical SMILES for N,N-bis[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine is c1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5cccc(-c6ccccc6)c5)cc4)c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5ccccc54)cc3)c2)cc1.
What is the InChIKey of N,N-bis[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine?
The InChIKey is FWDFGTADCKTDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41N/c1-3-15-42(16-4-1)46-19-13-21-48(39-46)44-29-33-50(34-30-44)62(51-35-31-45(32-36-51)49-22-14-20-47(40-49)43-17-5-2-6-18-43)52-37-38-60-56(41-52)55-25-9-12-28-59(55)61(60)57-26-10-7-23-53(57)54-24-8-11-27-58(54)61/h1-41H.
What are the key properties of N,N-bis[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine?
N,N-bis[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine has a molecular weight of 788.01 g/mol, XLogP of 16.17, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine is sourced from PubChem (CID 168750058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).