N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-3-amine

C53H35N — CID 139352859

IUPACN-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-3-amine
SMILESc1ccc(-c2c(-c3ccc(N(c4ccccc4)c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5ccccc54)cc3)ccc3ccccc23)cc1
InChIInChI=1S/C53H35N/c1-3-16-38(17-4-1)52-42-20-8-7-15-36(42)29-33-43(52)37-27-30-40(31-28-37)54(39-18-5-2-6-19-39)41-32-34-51-47(35-41)46-23-11-14-26-50(46)53(51)48-24-12-9-21-44(48)45-22-10-13-25-49(45)53/h1-35H
InChIKeyKYNDRCGNUCATNX-UHFFFAOYSA-N
MW685.87 g/mol
LogP13.99
Rot. Bonds5

About N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-3-amine

N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-3-amine (PubChem CID 139352859) has the molecular formula C53H35N and a molecular weight of 685.87 g/mol. Its IUPAC name is N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-3-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-3-amine
PubChem CID139352859
Molecular FormulaC53H35N
Molecular Weight685.87 g/mol
Exact Mass685.28
IUPAC NameN-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-3-amine
SMILESc1ccc(-c2c(-c3ccc(N(c4ccccc4)c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5ccccc54)cc3)ccc3ccccc23)cc1
InChIInChI=1S/C53H35N/c1-3-16-38(17-4-1)52-42-20-8-7-15-36(42)29-33-43(52)37-27-30-40(31-28-37)54(39-18-5-2-6-19-39)41-32-34-51-47(35-41)46-23-11-14-26-50(46)53(51)48-24-12-9-21-44(48)45-22-10-13-25-49(45)53/h1-35H
InChIKeyKYNDRCGNUCATNX-UHFFFAOYSA-N
XLogP13.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.87
LogP ≤ 513.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)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-phenyl-N-[4-[1-[4-(4-phenylphenyl)phenyl]naphthalen-2-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 166048497
N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-3-amine;N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 160671954
N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 156558424
N,N-bis(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 134193953
N-phenyl-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 139355095
N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 134240776
N,N-bis(4-phenylphenyl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-3'-amine
CID 140918835
N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 134193960
2-N,2-N'-diphenyl-2-N-(1-phenylnaphthalen-2-yl)-2-N'-[1-(4-phenylphenyl)naphthalen-2-yl]-9,9'-spirobi[fluorene]-2,2'-diamine
CID 176633832
2-N'-phenyl-2-N'-(2-phenylnaphthalen-1-yl)-2-N,2-N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine
CID 176633841
N,4-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
CID 172526975
N-naphthalen-2-yl-4'-[4-[4-[naphthalen-1-yl(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 167177958

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-3-amine?
The IUPAC name of N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-3-amine (CID 139352859) is N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-3-amine.
What is the SMILES notation for N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-3-amine?
The canonical SMILES for N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-3-amine is c1ccc(-c2c(-c3ccc(N(c4ccccc4)c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5ccccc54)cc3)ccc3ccccc23)cc1.
What is the InChIKey of N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-3-amine?
The InChIKey is KYNDRCGNUCATNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N/c1-3-16-38(17-4-1)52-42-20-8-7-15-36(42)29-33-43(52)37-27-30-40(31-28-37)54(39-18-5-2-6-19-39)41-32-34-51-47(35-41)46-23-11-14-26-50(46)53(51)48-24-12-9-21-44(48)45-22-10-13-25-49(45)53/h1-35H.
What are the key properties of N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-3-amine?
N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-3-amine has a molecular weight of 685.87 g/mol, XLogP of 13.99, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-3-amine is sourced from PubChem (CID 139352859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).