N,4-diphenyl-N-[4-(4'-phenyl-9,9'-spirobi[fluorene]-3-yl)phenyl]aniline

C55H37N — CID 129259026

IUPACN,4-diphenyl-N-[4-(4'-phenyl-9,9'-spirobi[fluorene]-3-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5c(-c6ccccc6)cccc54)cc3)cc2)cc1
InChIInChI=1S/C55H37N/c1-4-15-38(16-5-1)39-27-32-44(33-28-39)56(43-19-8-3-9-20-43)45-34-29-40(30-35-45)42-31-36-52-49(37-42)47-21-10-12-24-50(47)55(52)51-25-13-11-22-48(51)54-46(23-14-26-53(54)55)41-17-6-2-7-18-41/h1-37H
InChIKeyLWAKQZSRXYNXPG-UHFFFAOYSA-N
MW711.91 g/mol
LogP14.50
Rot. Bonds6

About N,4-diphenyl-N-[4-(4'-phenyl-9,9'-spirobi[fluorene]-3-yl)phenyl]aniline

N,4-diphenyl-N-[4-(4'-phenyl-9,9'-spirobi[fluorene]-3-yl)phenyl]aniline (PubChem CID 129259026) has the molecular formula C55H37N and a molecular weight of 711.91 g/mol. Its IUPAC name is N,4-diphenyl-N-[4-(4'-phenyl-9,9'-spirobi[fluorene]-3-yl)phenyl]aniline.

Molecular Properties

Compound NameN,4-diphenyl-N-[4-(4'-phenyl-9,9'-spirobi[fluorene]-3-yl)phenyl]aniline
PubChem CID129259026
Molecular FormulaC55H37N
Molecular Weight711.91 g/mol
Exact Mass711.29
IUPAC NameN,4-diphenyl-N-[4-(4'-phenyl-9,9'-spirobi[fluorene]-3-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5c(-c6ccccc6)cccc54)cc3)cc2)cc1
InChIInChI=1S/C55H37N/c1-4-15-38(16-5-1)39-27-32-44(33-28-39)56(43-19-8-3-9-20-43)45-34-29-40(30-35-45)42-31-36-52-49(37-42)47-21-10-12-24-50(47)55(52)51-25-13-11-22-48(51)54-46(23-14-26-53(54)55)41-17-6-2-7-18-41/h1-37H
InChIKeyLWAKQZSRXYNXPG-UHFFFAOYSA-N
XLogP14.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.91
LogP ≤ 514.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N,4-diphenyl-N-[4-(4'-phenyl-9,9'-spirobi[fluorene]-3-yl)phenyl]aniline 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-phenylphenyl)phenyl]-3-spiro[fluorene-9,9'-xanthene]-3-yl-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
CID 138476230
N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-3-yl-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
CID 138476345
CID 118153657
CID 118153657
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
N,2-diphenyl-N-[4-[4'-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-2-yl]phenyl]aniline
CID 140915383
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N,4-diphenylaniline;N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 158824840
3-N-phenyl-3-N,3-N',3-N'-tris(3-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine
CID 167177981
N,N-bis[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 168750058
N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-[3-(6-phenyl-9,9'-spirobi[fluorene]-4-yl)phenyl]phenyl]aniline
CID 129256107
3-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline
CID 129266899
N,N-diphenyl-3-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 121423944
N,N-diphenyl-3-spiro[fluorene-9,9'-hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene]-4-ylaniline;N,3-diphenyl-N-(4-spiro[fluorene-9,9'-hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene]-4-ylphenyl)aniline;N-phenyl-N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene]-4-ylaniline
CID 167535037

Frequently Asked Questions

What is the IUPAC name of N,4-diphenyl-N-[4-(4'-phenyl-9,9'-spirobi[fluorene]-3-yl)phenyl]aniline?
The IUPAC name of N,4-diphenyl-N-[4-(4'-phenyl-9,9'-spirobi[fluorene]-3-yl)phenyl]aniline (CID 129259026) is N,4-diphenyl-N-[4-(4'-phenyl-9,9'-spirobi[fluorene]-3-yl)phenyl]aniline.
What is the SMILES notation for N,4-diphenyl-N-[4-(4'-phenyl-9,9'-spirobi[fluorene]-3-yl)phenyl]aniline?
The canonical SMILES for N,4-diphenyl-N-[4-(4'-phenyl-9,9'-spirobi[fluorene]-3-yl)phenyl]aniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5c(-c6ccccc6)cccc54)cc3)cc2)cc1.
What is the InChIKey of N,4-diphenyl-N-[4-(4'-phenyl-9,9'-spirobi[fluorene]-3-yl)phenyl]aniline?
The InChIKey is LWAKQZSRXYNXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37N/c1-4-15-38(16-5-1)39-27-32-44(33-28-39)56(43-19-8-3-9-20-43)45-34-29-40(30-35-45)42-31-36-52-49(37-42)47-21-10-12-24-50(47)55(52)51-25-13-11-22-48(51)54-46(23-14-26-53(54)55)41-17-6-2-7-18-41/h1-37H.
What are the key properties of N,4-diphenyl-N-[4-(4'-phenyl-9,9'-spirobi[fluorene]-3-yl)phenyl]aniline?
N,4-diphenyl-N-[4-(4'-phenyl-9,9'-spirobi[fluorene]-3-yl)phenyl]aniline has a molecular weight of 711.91 g/mol, XLogP of 14.50, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diphenyl-N-[4-(4'-phenyl-9,9'-spirobi[fluorene]-3-yl)phenyl]aniline is sourced from PubChem (CID 129259026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).