N,N-bis(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-3'-amine;methane;N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine

C102H82N2O2 — CID 157220959

IUPACN,N-bis(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-3'-amine;methane;N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine
SMILESC.C.C.C.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/2C49H33NO.4CH4/c1-3-15-34(16-4-1)35-27-29-37(30-28-35)50(46-25-13-9-19-39(46)36-17-5-2-6-18-36)38-31-32-48-45(33-38)49(44-24-12-14-26-47(44)51-48)42-22-10-7-20-40(42)41-21-8-11-23-43(41)49;1-3-13-34(14-4-1)36-23-27-38(28-24-36)50(39-29-25-37(26-30-39)35-15-5-2-6-16-35)40-31-32-46-48(33-40)51-47-22-12-11-21-45(47)49(46)43-19-9-7-17-41(43)42-18-8-10-20-44(42)49;;;;/h2*1-33H;4*1H4
InChIKeyASZFZMBIQFODLT-UHFFFAOYSA-N
MW1367.79 g/mol
LogP28.46
Rot. Bonds10

About N,N-bis(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-3'-amine;methane;N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine

N,N-bis(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-3'-amine;methane;N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine (PubChem CID 157220959) has the molecular formula C102H82N2O2 and a molecular weight of 1367.79 g/mol. Its IUPAC name is N,N-bis(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-3'-amine;methane;N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine.

Molecular Properties

Compound NameN,N-bis(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-3'-amine;methane;N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine
PubChem CID157220959
Molecular FormulaC102H82N2O2
Molecular Weight1367.79 g/mol
Exact Mass1366.64
IUPAC NameN,N-bis(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-3'-amine;methane;N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine
SMILESC.C.C.C.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/2C49H33NO.4CH4/c1-3-15-34(16-4-1)35-27-29-37(30-28-35)50(46-25-13-9-19-39(46)36-17-5-2-6-18-36)38-31-32-48-45(33-38)49(44-24-12-14-26-47(44)51-48)42-22-10-7-20-40(42)41-21-8-11-23-43(41)49;1-3-13-34(14-4-1)36-23-27-38(28-24-36)50(39-29-25-37(26-30-39)35-15-5-2-6-16-35)40-31-32-46-48(33-40)51-47-22-12-11-21-45(47)49(46)43-19-9-7-17-41(43)42-18-8-10-20-44(42)49;;;;/h2*1-33H;4*1H4
InChIKeyASZFZMBIQFODLT-UHFFFAOYSA-N
XLogP28.46
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001367.79
LogP ≤ 528.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-bis(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-3'-amine;methane;N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-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-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-3'-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138477897
2-phenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)aniline
CID 90154256
2',3'-diphenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 170240643
N-[2-(4-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138477446
N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476600
9,9-dimethyl-N-(4-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)fluoren-2-amine
CID 174274909
N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2'-amine
CID 138477297
N-(2-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-2-amine
CID 167177160
N-(9,9-dimethylfluoren-2-yl)-3'-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 170240505
N-[4-(4-phenylphenyl)phenyl]-2-spiro[fluorene-9,9'-xanthene]-3-yl-N-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)aniline
CID 138477818
N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138475877
N-[2-(4-phenylphenyl)phenyl]-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138477499

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-3'-amine;methane;N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine?
The IUPAC name of N,N-bis(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-3'-amine;methane;N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine (CID 157220959) is N,N-bis(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-3'-amine;methane;N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine.
What is the SMILES notation for N,N-bis(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-3'-amine;methane;N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine?
The canonical SMILES for N,N-bis(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-3'-amine;methane;N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine is C.C.C.C.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)c3ccccc3-c3ccccc3)cc2)cc1.
What is the InChIKey of N,N-bis(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-3'-amine;methane;N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine?
The InChIKey is ASZFZMBIQFODLT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C49H33NO.4CH4/c1-3-15-34(16-4-1)35-27-29-37(30-28-35)50(46-25-13-9-19-39(46)36-17-5-2-6-18-36)38-31-32-48-45(33-38)49(44-24-12-14-26-47(44)51-48)42-22-10-7-20-40(42)41-21-8-11-23-43(41)49;1-3-13-34(14-4-1)36-23-27-38(28-24-36)50(39-29-25-37(26-30-39)35-15-5-2-6-16-35)40-31-32-46-48(33-40)51-47-22-12-11-21-45(47)49(46)43-19-9-7-17-41(43)42-18-8-10-20-44(42)49;;;;/h2*1-33H;4*1H4.
What are the key properties of N,N-bis(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-3'-amine;methane;N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine?
N,N-bis(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-3'-amine;methane;N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine has a molecular weight of 1367.79 g/mol, XLogP of 28.46, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-3'-amine;methane;N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine is sourced from PubChem (CID 157220959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).