N-phenyl-N-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3-amine

C62H41NO — CID 169293009

IUPACN-phenyl-N-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3-amine
SMILESc1ccc(N(c2cccc(-c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)c2)c2ccc3c(c2)-c2ccccc2C32c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C62H41NO/c1-3-19-44(20-4-1)61(53-27-10-7-24-49(53)50-25-8-11-28-54(50)61)45-36-34-42(35-37-45)43-18-17-23-47(40-43)63(46-21-5-2-6-22-46)48-38-39-56-52(41-48)51-26-9-12-29-55(51)62(56)57-30-13-15-32-59(57)64-60-33-16-14-31-58(60)62/h1-41H
InChIKeyJTRAPFPANWLZDX-UHFFFAOYSA-N
MW816.02 g/mol
LogP15.66
Rot. Bonds6

About N-phenyl-N-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3-amine

N-phenyl-N-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3-amine (PubChem CID 169293009) has the molecular formula C62H41NO and a molecular weight of 816.02 g/mol. Its IUPAC name is N-phenyl-N-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3-amine.

Molecular Properties

Compound NameN-phenyl-N-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3-amine
PubChem CID169293009
Molecular FormulaC62H41NO
Molecular Weight816.02 g/mol
Exact Mass815.32
IUPAC NameN-phenyl-N-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3-amine
SMILESc1ccc(N(c2cccc(-c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)c2)c2ccc3c(c2)-c2ccccc2C32c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C62H41NO/c1-3-19-44(20-4-1)61(53-27-10-7-24-49(53)50-25-8-11-28-54(50)61)45-36-34-42(35-37-45)43-18-17-23-47(40-43)63(46-21-5-2-6-22-46)48-38-39-56-52(41-48)51-26-9-12-29-55(51)62(56)57-30-13-15-32-59(57)64-60-33-16-14-31-58(60)62/h1-41H
InChIKeyJTRAPFPANWLZDX-UHFFFAOYSA-N
XLogP15.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.02
LogP ≤ 515.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-phenyl-N-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-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

9,9-diphenyl-N-(4-phenylphenyl)-N-[3-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]fluoren-2-amine
CID 90154251
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 167176947
N,9,9-triphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine
CID 146540179
9,9-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]fluoren-3-amine
CID 170375601
N-(9,9-diphenylfluoren-2-yl)-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138477449
N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138477229
N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-3-yl-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
CID 138476345
N,N-bis[3-(9,9-diphenylfluoren-3-yl)phenyl]-3-phenylaniline
CID 162510714
3-(9,9-diphenylfluoren-3-yl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-phenylaniline
CID 162510737
3-N-phenyl-3-N,3-N',3-N'-tris(3-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine
CID 167177981
N-[4-(3-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138476873
3-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline
CID 167176728

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3-amine?
The IUPAC name of N-phenyl-N-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3-amine (CID 169293009) is N-phenyl-N-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3-amine.
What is the SMILES notation for N-phenyl-N-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3-amine?
The canonical SMILES for N-phenyl-N-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3-amine is c1ccc(N(c2cccc(-c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)c2)c2ccc3c(c2)-c2ccccc2C32c3ccccc3Oc3ccccc32)cc1.
What is the InChIKey of N-phenyl-N-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3-amine?
The InChIKey is JTRAPFPANWLZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H41NO/c1-3-19-44(20-4-1)61(53-27-10-7-24-49(53)50-25-8-11-28-54(50)61)45-36-34-42(35-37-45)43-18-17-23-47(40-43)63(46-21-5-2-6-22-46)48-38-39-56-52(41-48)51-26-9-12-29-55(51)62(56)57-30-13-15-32-59(57)64-60-33-16-14-31-58(60)62/h1-41H.
What are the key properties of N-phenyl-N-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3-amine?
N-phenyl-N-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3-amine has a molecular weight of 816.02 g/mol, XLogP of 15.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3-amine is sourced from PubChem (CID 169293009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).