N-dibenzothiophen-2-yl-7-[4-[4-[dibenzothiophen-1-yl(dibenzothiophen-2-yl)amino]-9-phenylfluoren-9-yl]phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-3-amine

C98H60N2S4 — CID 163963486

IUPACN-dibenzothiophen-2-yl-7-[4-[4-[dibenzothiophen-1-yl(dibenzothiophen-2-yl)amino]-9-phenylfluoren-9-yl]phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-3-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc5c(c4)sc4cc(-c6ccc(C7(c8ccccc8)c8ccccc8-c8c(N(c9ccc%10sc%11ccccc%11c%10c9)c9cccc%10sc%11ccccc%11c9%10)cccc87)cc6)ccc45)c4ccc5sc6ccccc6c5c4)cccc32)cc1
InChIInChI=1S/C98H60N2S4/c1-4-23-63(24-5-1)97(64-25-6-2-7-26-64)79-34-15-10-31-74(79)94-81(97)36-20-38-83(94)99(67-51-55-89-77(58-67)70-29-12-17-41-86(70)101-89)69-50-54-73-72-53-47-62(57-92(72)104-93(73)60-69)61-45-48-66(49-46-61)98(65-27-8-3-9-28-65)80-35-16-11-32-75(80)95-82(98)37-21-39-84(95)100(68-52-56-90-78(59-68)71-30-13-18-42-87(71)102-90)85-40-22-44-91-96(85)76-33-14-19-43-88(76)103-91/h1-60H
InChIKeySJOSCHGXSFKKEQ-UHFFFAOYSA-N
MW1393.84 g/mol
LogP28.49
Rot. Bonds11

About N-dibenzothiophen-2-yl-7-[4-[4-[dibenzothiophen-1-yl(dibenzothiophen-2-yl)amino]-9-phenylfluoren-9-yl]phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-3-amine

N-dibenzothiophen-2-yl-7-[4-[4-[dibenzothiophen-1-yl(dibenzothiophen-2-yl)amino]-9-phenylfluoren-9-yl]phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-3-amine (PubChem CID 163963486) has the molecular formula C98H60N2S4 and a molecular weight of 1393.84 g/mol. Its IUPAC name is N-dibenzothiophen-2-yl-7-[4-[4-[dibenzothiophen-1-yl(dibenzothiophen-2-yl)amino]-9-phenylfluoren-9-yl]phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-dibenzothiophen-2-yl-7-[4-[4-[dibenzothiophen-1-yl(dibenzothiophen-2-yl)amino]-9-phenylfluoren-9-yl]phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-3-amine
PubChem CID163963486
Molecular FormulaC98H60N2S4
Molecular Weight1393.84 g/mol
Exact Mass1392.36
IUPAC NameN-dibenzothiophen-2-yl-7-[4-[4-[dibenzothiophen-1-yl(dibenzothiophen-2-yl)amino]-9-phenylfluoren-9-yl]phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-3-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc5c(c4)sc4cc(-c6ccc(C7(c8ccccc8)c8ccccc8-c8c(N(c9ccc%10sc%11ccccc%11c%10c9)c9cccc%10sc%11ccccc%11c9%10)cccc87)cc6)ccc45)c4ccc5sc6ccccc6c5c4)cccc32)cc1
InChIInChI=1S/C98H60N2S4/c1-4-23-63(24-5-1)97(64-25-6-2-7-26-64)79-34-15-10-31-74(79)94-81(97)36-20-38-83(94)99(67-51-55-89-77(58-67)70-29-12-17-41-86(70)101-89)69-50-54-73-72-53-47-62(57-92(72)104-93(73)60-69)61-45-48-66(49-46-61)98(65-27-8-3-9-28-65)80-35-16-11-32-75(80)95-82(98)37-21-39-84(95)100(68-52-56-90-78(59-68)71-30-13-18-42-87(71)102-90)85-40-22-44-91-96(85)76-33-14-19-43-88(76)103-91/h1-60H
InChIKeySJOSCHGXSFKKEQ-UHFFFAOYSA-N
XLogP28.49
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001393.84
LogP ≤ 528.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-dibenzothiophen-2-yl-7-[4-[4-[dibenzothiophen-1-yl(dibenzothiophen-2-yl)amino]-9-phenylfluoren-9-yl]phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-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

N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424565
N-(9,9-diphenylfluoren-4-yl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-1-amine
CID 172544905
N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-4-amine
CID 121424362
N-(2-dibenzothiophen-2-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 166663845
N-(9,9-diphenylfluoren-4-yl)-N-[4-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophen-1-amine
CID 172544772
N-(3-dibenzothiophen-3-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 168767644
N-(4-dibenzofuran-3-ylphenyl)-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424451
N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-1-amine
CID 172545021
N-(4-dibenzofuran-1-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-2-amine;N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-2-amine
CID 160753987
7-(9-phenylfluoren-9-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-1-amine
CID 163485667
N-dibenzothiophen-1-yl-N-(9,9-diphenylfluoren-4-yl)dibenzofuran-3-amine
CID 121424663
N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424569

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-2-yl-7-[4-[4-[dibenzothiophen-1-yl(dibenzothiophen-2-yl)amino]-9-phenylfluoren-9-yl]phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-3-amine?
The IUPAC name of N-dibenzothiophen-2-yl-7-[4-[4-[dibenzothiophen-1-yl(dibenzothiophen-2-yl)amino]-9-phenylfluoren-9-yl]phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-3-amine (CID 163963486) is N-dibenzothiophen-2-yl-7-[4-[4-[dibenzothiophen-1-yl(dibenzothiophen-2-yl)amino]-9-phenylfluoren-9-yl]phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-3-amine.
What is the SMILES notation for N-dibenzothiophen-2-yl-7-[4-[4-[dibenzothiophen-1-yl(dibenzothiophen-2-yl)amino]-9-phenylfluoren-9-yl]phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-3-amine?
The canonical SMILES for N-dibenzothiophen-2-yl-7-[4-[4-[dibenzothiophen-1-yl(dibenzothiophen-2-yl)amino]-9-phenylfluoren-9-yl]phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-3-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc5c(c4)sc4cc(-c6ccc(C7(c8ccccc8)c8ccccc8-c8c(N(c9ccc%10sc%11ccccc%11c%10c9)c9cccc%10sc%11ccccc%11c9%10)cccc87)cc6)ccc45)c4ccc5sc6ccccc6c5c4)cccc32)cc1.
What is the InChIKey of N-dibenzothiophen-2-yl-7-[4-[4-[dibenzothiophen-1-yl(dibenzothiophen-2-yl)amino]-9-phenylfluoren-9-yl]phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-3-amine?
The InChIKey is SJOSCHGXSFKKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H60N2S4/c1-4-23-63(24-5-1)97(64-25-6-2-7-26-64)79-34-15-10-31-74(79)94-81(97)36-20-38-83(94)99(67-51-55-89-77(58-67)70-29-12-17-41-86(70)101-89)69-50-54-73-72-53-47-62(57-92(72)104-93(73)60-69)61-45-48-66(49-46-61)98(65-27-8-3-9-28-65)80-35-16-11-32-75(80)95-82(98)37-21-39-84(95)100(68-52-56-90-78(59-68)71-30-13-18-42-87(71)102-90)85-40-22-44-91-96(85)76-33-14-19-43-88(76)103-91/h1-60H.
What are the key properties of N-dibenzothiophen-2-yl-7-[4-[4-[dibenzothiophen-1-yl(dibenzothiophen-2-yl)amino]-9-phenylfluoren-9-yl]phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-3-amine?
N-dibenzothiophen-2-yl-7-[4-[4-[dibenzothiophen-1-yl(dibenzothiophen-2-yl)amino]-9-phenylfluoren-9-yl]phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-3-amine has a molecular weight of 1393.84 g/mol, XLogP of 28.49, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-2-yl-7-[4-[4-[dibenzothiophen-1-yl(dibenzothiophen-2-yl)amino]-9-phenylfluoren-9-yl]phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-3-amine is sourced from PubChem (CID 163963486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).