N-(4-carbazol-9-ylphenyl)-4-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)phenyl]aniline

C56H37N3S — CID 144585475

IUPACN-(4-carbazol-9-ylphenyl)-4-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4sc6ccccc6c4n5-c4ccccc4)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C56H37N3S/c1-3-13-38(14-4-1)39-23-28-43(29-24-39)57(45-32-34-46(35-33-45)58-51-20-10-7-17-47(51)48-18-8-11-21-52(48)58)44-30-25-40(26-31-44)41-27-36-53-50(37-41)56-55(49-19-9-12-22-54(49)60-56)59(53)42-15-5-2-6-16-42/h1-37H
InChIKeySFODYFFXCACYDN-UHFFFAOYSA-N
MW784.00 g/mol
LogP15.90
Rot. Bonds7

About N-(4-carbazol-9-ylphenyl)-4-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)phenyl]aniline

N-(4-carbazol-9-ylphenyl)-4-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)phenyl]aniline (PubChem CID 144585475) has the molecular formula C56H37N3S and a molecular weight of 784.00 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-4-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)phenyl]aniline.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-4-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)phenyl]aniline
PubChem CID144585475
Molecular FormulaC56H37N3S
Molecular Weight784.00 g/mol
Exact Mass783.27
IUPAC NameN-(4-carbazol-9-ylphenyl)-4-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4sc6ccccc6c4n5-c4ccccc4)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C56H37N3S/c1-3-13-38(14-4-1)39-23-28-43(29-24-39)57(45-32-34-46(35-33-45)58-51-20-10-7-17-47(51)48-18-8-11-21-52(48)58)44-30-25-40(26-31-44)41-27-36-53-50(37-41)56-55(49-19-9-12-22-54(49)60-56)59(53)42-15-5-2-6-16-42/h1-37H
InChIKeySFODYFFXCACYDN-UHFFFAOYSA-N
XLogP15.90
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.00
LogP ≤ 515.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 144585485
N,N-diphenyl-8-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)dibenzothiophen-2-amine
CID 144585459
12-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 90050986
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90351069
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline
CID 90077208
3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 90296100
N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59469837
4-(4-carbazol-9-ylphenyl)-N-[4-[3-[3-[4-[4-(4-carbazol-9-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino]phenyl]phenyl]phenyl]phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 88848896
10-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-b]indole
CID 118150020
3,6-bis(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 158023150
N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[9-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]aniline
CID 71038551
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-3-amine
CID 70808761

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-4-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)phenyl]aniline?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-4-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)phenyl]aniline (CID 144585475) is N-(4-carbazol-9-ylphenyl)-4-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)phenyl]aniline.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-4-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)phenyl]aniline?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-4-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)phenyl]aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4sc6ccccc6c4n5-c4ccccc4)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-4-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)phenyl]aniline?
The InChIKey is SFODYFFXCACYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37N3S/c1-3-13-38(14-4-1)39-23-28-43(29-24-39)57(45-32-34-46(35-33-45)58-51-20-10-7-17-47(51)48-18-8-11-21-52(48)58)44-30-25-40(26-31-44)41-27-36-53-50(37-41)56-55(49-19-9-12-22-54(49)60-56)59(53)42-15-5-2-6-16-42/h1-37H.
What are the key properties of N-(4-carbazol-9-ylphenyl)-4-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)phenyl]aniline?
N-(4-carbazol-9-ylphenyl)-4-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)phenyl]aniline has a molecular weight of 784.00 g/mol, XLogP of 15.90, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-4-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)phenyl]aniline is sourced from PubChem (CID 144585475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).