N-(3-dibenzofuran-3-ylphenyl)-3-(9,9-diphenylfluoren-3-yl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)aniline

C71H45NOS — CID 177121900

IUPACN-(3-dibenzofuran-3-ylphenyl)-3-(9,9-diphenylfluoren-3-yl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)aniline
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cc(-c4cccc(N(c5ccc(-c6cccc7c6sc6c8ccccc8ccc76)cc5)c5cccc(-c6ccc7c(c6)oc6ccccc67)c5)c4)ccc32)cc1
InChIInChI=1S/C71H45NOS/c1-3-19-52(20-4-1)71(53-21-5-2-6-22-53)65-30-11-9-26-59(65)64-44-50(36-41-66(64)71)48-17-13-23-55(42-48)72(56-24-14-18-49(43-56)51-35-39-61-60-27-10-12-31-67(60)73-68(61)45-51)54-37-32-47(33-38-54)58-28-15-29-62-63-40-34-46-16-7-8-25-57(46)70(63)74-69(58)62/h1-45H
InChIKeyLRXMYZMIJBYEKY-UHFFFAOYSA-N
MW960.21 g/mol
LogP19.94
Rot. Bonds8

About N-(3-dibenzofuran-3-ylphenyl)-3-(9,9-diphenylfluoren-3-yl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)aniline

N-(3-dibenzofuran-3-ylphenyl)-3-(9,9-diphenylfluoren-3-yl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)aniline (PubChem CID 177121900) has the molecular formula C71H45NOS and a molecular weight of 960.21 g/mol. Its IUPAC name is N-(3-dibenzofuran-3-ylphenyl)-3-(9,9-diphenylfluoren-3-yl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)aniline.

Molecular Properties

Compound NameN-(3-dibenzofuran-3-ylphenyl)-3-(9,9-diphenylfluoren-3-yl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)aniline
PubChem CID177121900
Molecular FormulaC71H45NOS
Molecular Weight960.21 g/mol
Exact Mass959.32
IUPAC NameN-(3-dibenzofuran-3-ylphenyl)-3-(9,9-diphenylfluoren-3-yl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)aniline
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cc(-c4cccc(N(c5ccc(-c6cccc7c6sc6c8ccccc8ccc76)cc5)c5cccc(-c6ccc7c(c6)oc6ccccc67)c5)c4)ccc32)cc1
InChIInChI=1S/C71H45NOS/c1-3-19-52(20-4-1)71(53-21-5-2-6-22-53)65-30-11-9-26-59(65)64-44-50(36-41-66(64)71)48-17-13-23-55(42-48)72(56-24-14-18-49(43-56)51-35-39-61-60-27-10-12-31-67(60)73-68(61)45-51)54-37-32-47(33-38-54)58-28-15-29-62-63-40-34-46-16-7-8-25-57(46)70(63)74-69(58)62/h1-45H
InChIKeyLRXMYZMIJBYEKY-UHFFFAOYSA-N
XLogP19.94
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500960.21
LogP ≤ 519.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(3-dibenzofuran-3-ylphenyl)-3-(9,9-diphenylfluoren-3-yl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)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-dibenzofuran-3-ylphenyl)-3-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 168840154
N-(4-dibenzofuran-3-ylphenyl)-4-(9,9-diphenylfluoren-3-yl)-N-phenylaniline
CID 168839753
N-(4-dibenzofuran-3-ylphenyl)-9,9-diphenyl-N-(4-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]-2'-ylphenyl)fluoren-2-amine;N-(4-dibenzofuran-3-ylphenyl)-3-phenyl-N-(4-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]-2'-ylphenyl)aniline;N-(4-dibenzofuran-3-ylphenyl)-4-phenyl-N-(4-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]-2'-ylphenyl)aniline
CID 161322711
N-(4-dibenzofuran-3-ylphenyl)-9,9-diphenyl-N-(4-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]-2'-ylphenyl)fluoren-3-amine;N-(4-dibenzofuran-2-ylphenyl)-3-phenyl-N-(4-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]-2'-ylphenyl)aniline;N-(4-dibenzofuran-3-ylphenyl)-3-phenyl-N-(3-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]-2'-ylphenyl)aniline;methane
CID 158525527
N-[4-(7,7-diphenylfluoreno[2,3-b][1]benzofuran-3-yl)phenyl]-N,4-diphenylaniline;N-[4-(7,7-diphenylfluoreno[2,3-b][1]benzothiol-4-yl)phenyl]-N,4-diphenylaniline;N,7,7-triphenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine;N,7,7-triphenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-2-amine
CID 160743141
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-3-(9,9-diphenylfluoren-3-yl)aniline
CID 121424769
N-(4-dibenzofuran-1-ylphenyl)-3-[6-(3,5-diphenylphenyl)-9,9-diphenylfluoren-3-yl]-N-phenylaniline
CID 156827028
N-(3-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-3-(4-phenylphenyl)aniline
CID 121381640
N-(9,9-diphenylfluoren-2-yl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 166565747
N-(4-naphthalen-1-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine;N-(4-naphthalen-2-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine;N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)tetraphenylen-2-amine
CID 167566203
4-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-phenylaniline
CID 67964130
N-(4-dibenzothiophen-4-ylphenyl)-4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N,N-diphenyl-4-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)aniline;N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline
CID 158602959

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-3-ylphenyl)-3-(9,9-diphenylfluoren-3-yl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)aniline?
The IUPAC name of N-(3-dibenzofuran-3-ylphenyl)-3-(9,9-diphenylfluoren-3-yl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)aniline (CID 177121900) is N-(3-dibenzofuran-3-ylphenyl)-3-(9,9-diphenylfluoren-3-yl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)aniline.
What is the SMILES notation for N-(3-dibenzofuran-3-ylphenyl)-3-(9,9-diphenylfluoren-3-yl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)aniline?
The canonical SMILES for N-(3-dibenzofuran-3-ylphenyl)-3-(9,9-diphenylfluoren-3-yl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)aniline is c1ccc(C2(c3ccccc3)c3ccccc3-c3cc(-c4cccc(N(c5ccc(-c6cccc7c6sc6c8ccccc8ccc76)cc5)c5cccc(-c6ccc7c(c6)oc6ccccc67)c5)c4)ccc32)cc1.
What is the InChIKey of N-(3-dibenzofuran-3-ylphenyl)-3-(9,9-diphenylfluoren-3-yl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)aniline?
The InChIKey is LRXMYZMIJBYEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H45NOS/c1-3-19-52(20-4-1)71(53-21-5-2-6-22-53)65-30-11-9-26-59(65)64-44-50(36-41-66(64)71)48-17-13-23-55(42-48)72(56-24-14-18-49(43-56)51-35-39-61-60-27-10-12-31-67(60)73-68(61)45-51)54-37-32-47(33-38-54)58-28-15-29-62-63-40-34-46-16-7-8-25-57(46)70(63)74-69(58)62/h1-45H.
What are the key properties of N-(3-dibenzofuran-3-ylphenyl)-3-(9,9-diphenylfluoren-3-yl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)aniline?
N-(3-dibenzofuran-3-ylphenyl)-3-(9,9-diphenylfluoren-3-yl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)aniline has a molecular weight of 960.21 g/mol, XLogP of 19.94, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzofuran-3-ylphenyl)-3-(9,9-diphenylfluoren-3-yl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)aniline is sourced from PubChem (CID 177121900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).