2-(9,9-diphenylfluoren-3-yl)-N,6-diphenyl-N-[4-(1-phenylindol-5-yl)phenyl]aniline

C63H44N2 — CID 166991862

IUPAC2-(9,9-diphenylfluoren-3-yl)-N,6-diphenyl-N-[4-(1-phenylindol-5-yl)phenyl]aniline
SMILESc1ccc(-c2cccc(-c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)c2N(c2ccccc2)c2ccc(-c3ccc4c(ccn4-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C63H44N2/c1-6-19-46(20-7-1)55-30-18-31-56(48-35-39-60-58(44-48)57-29-16-17-32-59(57)63(60,50-21-8-2-9-22-50)51-23-10-3-11-24-51)62(55)65(53-27-14-5-15-28-53)54-37-33-45(34-38-54)47-36-40-61-49(43-47)41-42-64(61)52-25-12-4-13-26-52/h1-44H
InChIKeyHNJWONSDZBVFOI-UHFFFAOYSA-N
MW829.06 g/mol
LogP16.46
Rot. Bonds9

About 2-(9,9-diphenylfluoren-3-yl)-N,6-diphenyl-N-[4-(1-phenylindol-5-yl)phenyl]aniline

2-(9,9-diphenylfluoren-3-yl)-N,6-diphenyl-N-[4-(1-phenylindol-5-yl)phenyl]aniline (PubChem CID 166991862) has the molecular formula C63H44N2 and a molecular weight of 829.06 g/mol. Its IUPAC name is 2-(9,9-diphenylfluoren-3-yl)-N,6-diphenyl-N-[4-(1-phenylindol-5-yl)phenyl]aniline.

Molecular Properties

Compound Name2-(9,9-diphenylfluoren-3-yl)-N,6-diphenyl-N-[4-(1-phenylindol-5-yl)phenyl]aniline
PubChem CID166991862
Molecular FormulaC63H44N2
Molecular Weight829.06 g/mol
Exact Mass828.35
IUPAC Name2-(9,9-diphenylfluoren-3-yl)-N,6-diphenyl-N-[4-(1-phenylindol-5-yl)phenyl]aniline
SMILESc1ccc(-c2cccc(-c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)c2N(c2ccccc2)c2ccc(-c3ccc4c(ccn4-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C63H44N2/c1-6-19-46(20-7-1)55-30-18-31-56(48-35-39-60-58(44-48)57-29-16-17-32-59(57)63(60,50-21-8-2-9-22-50)51-23-10-3-11-24-51)62(55)65(53-27-14-5-15-28-53)54-37-33-45(34-38-54)47-36-40-61-49(43-47)41-42-64(61)52-25-12-4-13-26-52/h1-44H
InChIKeyHNJWONSDZBVFOI-UHFFFAOYSA-N
XLogP16.46
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500829.06
LogP ≤ 516.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(9,9-diphenylfluoren-3-yl)-N,6-diphenyl-N-[4-(1-phenylindol-5-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,N-diphenyl-4-[5-[4-(9-phenylfluoren-9-yl)phenyl]indol-1-yl]aniline
CID 132569918
N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118155143
N-(9,9-diphenylfluoren-2-yl)-3,9-diphenyl-N-(4-phenylphenyl)pyrrolo[3,2-b]carbazol-6-amine
CID 118489585
3-(9,9-diphenylfluoren-3-yl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-phenylaniline
CID 162510737
N,N-bis[3-(9,9-diphenylfluoren-3-yl)phenyl]-3-phenylaniline
CID 162510714
4-phenyl-N-(4-phenylphenyl)-N-[4-[9-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-3-yl]phenyl]aniline
CID 167334212
9-phenyl-6-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)carbazol-3-amine
CID 167214978
4-naphthalen-2-yl-N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 59601247
N-[4-(3,6-diphenylpyrrolo[2,3-c]carbazol-9-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 90060969
3,9,9-triphenylfluorene
CID 140844354
9,9-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]fluoren-3-amine
CID 170375601
N,9,9-triphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine
CID 146540179

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-diphenylfluoren-3-yl)-N,6-diphenyl-N-[4-(1-phenylindol-5-yl)phenyl]aniline?
The IUPAC name of 2-(9,9-diphenylfluoren-3-yl)-N,6-diphenyl-N-[4-(1-phenylindol-5-yl)phenyl]aniline (CID 166991862) is 2-(9,9-diphenylfluoren-3-yl)-N,6-diphenyl-N-[4-(1-phenylindol-5-yl)phenyl]aniline.
What is the SMILES notation for 2-(9,9-diphenylfluoren-3-yl)-N,6-diphenyl-N-[4-(1-phenylindol-5-yl)phenyl]aniline?
The canonical SMILES for 2-(9,9-diphenylfluoren-3-yl)-N,6-diphenyl-N-[4-(1-phenylindol-5-yl)phenyl]aniline is c1ccc(-c2cccc(-c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)c2N(c2ccccc2)c2ccc(-c3ccc4c(ccn4-c4ccccc4)c3)cc2)cc1.
What is the InChIKey of 2-(9,9-diphenylfluoren-3-yl)-N,6-diphenyl-N-[4-(1-phenylindol-5-yl)phenyl]aniline?
The InChIKey is HNJWONSDZBVFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H44N2/c1-6-19-46(20-7-1)55-30-18-31-56(48-35-39-60-58(44-48)57-29-16-17-32-59(57)63(60,50-21-8-2-9-22-50)51-23-10-3-11-24-51)62(55)65(53-27-14-5-15-28-53)54-37-33-45(34-38-54)47-36-40-61-49(43-47)41-42-64(61)52-25-12-4-13-26-52/h1-44H.
What are the key properties of 2-(9,9-diphenylfluoren-3-yl)-N,6-diphenyl-N-[4-(1-phenylindol-5-yl)phenyl]aniline?
2-(9,9-diphenylfluoren-3-yl)-N,6-diphenyl-N-[4-(1-phenylindol-5-yl)phenyl]aniline has a molecular weight of 829.06 g/mol, XLogP of 16.46, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-diphenylfluoren-3-yl)-N,6-diphenyl-N-[4-(1-phenylindol-5-yl)phenyl]aniline is sourced from PubChem (CID 166991862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).