N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-4-(3-phenylphenyl)aniline

C62H39NOS — CID 118616110

IUPACN-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-4-(3-phenylphenyl)aniline
SMILESc1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5cccc6c5oc5c7ccccc7ccc65)cc4)c4ccc(-c5cccc6c5sc5c7ccccc7ccc65)cc4)cc3)c2)cc1
InChIInChI=1S/C62H39NOS/c1-2-11-40(12-3-1)46-15-8-16-47(39-46)41-23-31-48(32-24-41)63(49-33-25-44(26-34-49)52-19-9-21-55-56-37-29-42-13-4-6-17-51(42)60(56)64-59(52)55)50-35-27-45(28-36-50)54-20-10-22-57-58-38-30-43-14-5-7-18-53(43)62(58)65-61(54)57/h1-39H
InChIKeyXHVJZVWHAGRLRO-UHFFFAOYSA-N
MW846.07 g/mol
LogP18.40
Rot. Bonds7

About N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-4-(3-phenylphenyl)aniline

N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-4-(3-phenylphenyl)aniline (PubChem CID 118616110) has the molecular formula C62H39NOS and a molecular weight of 846.07 g/mol. Its IUPAC name is N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-4-(3-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-4-(3-phenylphenyl)aniline
PubChem CID118616110
Molecular FormulaC62H39NOS
Molecular Weight846.07 g/mol
Exact Mass845.28
IUPAC NameN-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-4-(3-phenylphenyl)aniline
SMILESc1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5cccc6c5oc5c7ccccc7ccc65)cc4)c4ccc(-c5cccc6c5sc5c7ccccc7ccc65)cc4)cc3)c2)cc1
InChIInChI=1S/C62H39NOS/c1-2-11-40(12-3-1)46-15-8-16-47(39-46)41-23-31-48(32-24-41)63(49-33-25-44(26-34-49)52-19-9-21-55-56-37-29-42-13-4-6-17-51(42)60(56)64-59(52)55)50-35-27-45(28-36-50)54-20-10-22-57-58-38-30-43-14-5-7-18-53(43)62(58)65-61(54)57/h1-39H
InChIKeyXHVJZVWHAGRLRO-UHFFFAOYSA-N
XLogP18.40
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500846.07
LogP ≤ 518.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-3-(3-phenylphenyl)aniline
CID 170272186
N-[4-[3-(6,8-diphenyldibenzofuran-4-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;methane;4-phenyl-N-[4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline;4-phenyl-N-[4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 157316371
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]naphthalen-2-amine
CID 121296621
methane;4-[3-(6-phenyldibenzofuran-4-yl)phenyl]-N,N-bis[4-(3-phenylphenyl)phenyl]aniline;4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-N,N-bis[4-(3-phenylphenyl)phenyl]aniline;4-phenyl-N-[4-[3-(8-phenyldibenzothiophen-2-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 159961913
N-(4-naphthalen-1-ylphenyl)-6-phenyl-N-(7-phenylnaphthalen-1-yl)dibenzofuran-4-amine;N-(4-naphthalen-1-ylphenyl)-6-phenyl-N-(7-phenylnaphthalen-1-yl)dibenzothiophen-4-amine;6-phenyl-N-(6-phenyldibenzofuran-4-yl)-N-[4-(6-phenylnaphthalen-1-yl)phenyl]dibenzofuran-4-amine;6-phenyl-N-(6-phenyldibenzothiophen-4-yl)-N-[4-(6-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 158016465
4-phenyl-N-[4-[3-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121296601
N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]naphthalen-1-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]naphthalen-1-amine;N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine;N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine;N-[4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 160742850
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-phenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-phenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 159541648
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]-N-phenyl-4-(3-phenylphenyl)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]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]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]-N,3,5-triphenylaniline
CID 161353848
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]-4-phenyl-N-(4-phenylphenyl)aniline
CID 130466777
N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]aniline
CID 159600768
3,5-diphenyl-N-(4-phenylphenyl)-N-[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)phenyl]aniline
CID 130466870

Frequently Asked Questions

What is the IUPAC name of N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-4-(3-phenylphenyl)aniline?
The IUPAC name of N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-4-(3-phenylphenyl)aniline (CID 118616110) is N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-4-(3-phenylphenyl)aniline.
What is the SMILES notation for N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-4-(3-phenylphenyl)aniline?
The canonical SMILES for N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-4-(3-phenylphenyl)aniline is c1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5cccc6c5oc5c7ccccc7ccc65)cc4)c4ccc(-c5cccc6c5sc5c7ccccc7ccc65)cc4)cc3)c2)cc1.
What is the InChIKey of N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-4-(3-phenylphenyl)aniline?
The InChIKey is XHVJZVWHAGRLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39NOS/c1-2-11-40(12-3-1)46-15-8-16-47(39-46)41-23-31-48(32-24-41)63(49-33-25-44(26-34-49)52-19-9-21-55-56-37-29-42-13-4-6-17-51(42)60(56)64-59(52)55)50-35-27-45(28-36-50)54-20-10-22-57-58-38-30-43-14-5-7-18-53(43)62(58)65-61(54)57/h1-39H.
What are the key properties of N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-4-(3-phenylphenyl)aniline?
N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-4-(3-phenylphenyl)aniline has a molecular weight of 846.07 g/mol, XLogP of 18.40, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-4-(3-phenylphenyl)aniline is sourced from PubChem (CID 118616110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).