N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine

C114H72N4S2 — CID 158224330

IUPACN-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(N(c5ccc6sc7ccccc7c6c5)c5ccc6c7ccccc7c7ccccc7c6c5)cc4)ccc2n3-c2ccccc2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc6sc7ccccc7c6c5)c5ccc6c7ccccc7c7ccccc7c6c5)cc4)ccc32)cc1
InChIInChI=1S/C60H38N2S.C54H34N2S/c1-3-13-39(14-4-1)41-25-32-57-54(35-41)55-36-42(26-33-58(55)62(57)43-15-5-2-6-16-43)40-23-27-44(28-24-40)61(46-30-34-60-56(38-46)52-21-11-12-22-59(52)63-60)45-29-31-51-49-19-8-7-17-47(49)48-18-9-10-20-50(48)53(51)37-45;1-2-12-37(13-3-1)56-51-20-10-8-18-46(51)49-32-36(24-30-52(49)56)35-22-25-38(26-23-35)55(40-28-31-54-50(34-40)47-19-9-11-21-53(47)57-54)39-27-29-45-43-16-5-4-14-41(43)42-15-6-7-17-44(42)48(45)33-39/h1-38H;1-34H
InChIKeyGDPRKDBERVPKNJ-UHFFFAOYSA-N
MW1561.99 g/mol
LogP33.16
Rot. Bonds11

About N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine

N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine (PubChem CID 158224330) has the molecular formula C114H72N4S2 and a molecular weight of 1561.99 g/mol. Its IUPAC name is N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine.

Molecular Properties

Compound NameN-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine
PubChem CID158224330
Molecular FormulaC114H72N4S2
Molecular Weight1561.99 g/mol
Exact Mass1560.52
IUPAC NameN-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(N(c5ccc6sc7ccccc7c6c5)c5ccc6c7ccccc7c7ccccc7c6c5)cc4)ccc2n3-c2ccccc2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc6sc7ccccc7c6c5)c5ccc6c7ccccc7c7ccccc7c6c5)cc4)ccc32)cc1
InChIInChI=1S/C60H38N2S.C54H34N2S/c1-3-13-39(14-4-1)41-25-32-57-54(35-41)55-36-42(26-33-58(55)62(57)43-15-5-2-6-16-43)40-23-27-44(28-24-40)61(46-30-34-60-56(38-46)52-21-11-12-22-59(52)63-60)45-29-31-51-49-19-8-7-17-47(49)48-18-9-10-20-50(48)53(51)37-45;1-2-12-37(13-3-1)56-51-20-10-8-18-46(51)49-32-36(24-30-52(49)56)35-22-25-38(26-23-35)55(40-28-31-54-50(34-40)47-19-9-11-21-53(47)57-54)39-27-29-45-43-16-5-4-14-41(43)42-15-6-7-17-44(42)48(45)33-39/h1-38H;1-34H
InChIKeyGDPRKDBERVPKNJ-UHFFFAOYSA-N
XLogP33.16
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms120
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001561.99
LogP ≤ 533.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-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-(4-phenylphenyl)-N-[4-(9-triphenylen-2-ylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine
CID 89492006
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-3-amine
CID 70808761
N-[4-[3-(6,9-diphenylcarbazol-2-yl)phenyl]phenyl]-N-phenyldibenzothiophen-2-amine
CID 118505638
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
N-(4-dibenzothiophen-2-ylphenyl)-N-phenanthren-3-yl-9-phenylcarbazol-3-amine
CID 168809750
N-dibenzothiophen-2-yl-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-2-amine
CID 70808743
N-[4-[6-(4-dibenzothiophen-2-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N,4-diphenylaniline
CID 89492158
N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine;N-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]triphenylen-2-amine
CID 158886945
methane;N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 159257159
N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine
CID 129222113
N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 121329672

Frequently Asked Questions

What is the IUPAC name of N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine?
The IUPAC name of N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine (CID 158224330) is N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine.
What is the SMILES notation for N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine?
The canonical SMILES for N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine is c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(N(c5ccc6sc7ccccc7c6c5)c5ccc6c7ccccc7c7ccccc7c6c5)cc4)ccc2n3-c2ccccc2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc6sc7ccccc7c6c5)c5ccc6c7ccccc7c7ccccc7c6c5)cc4)ccc32)cc1.
What is the InChIKey of N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine?
The InChIKey is GDPRKDBERVPKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N2S.C54H34N2S/c1-3-13-39(14-4-1)41-25-32-57-54(35-41)55-36-42(26-33-58(55)62(57)43-15-5-2-6-16-43)40-23-27-44(28-24-40)61(46-30-34-60-56(38-46)52-21-11-12-22-59(52)63-60)45-29-31-51-49-19-8-7-17-47(49)48-18-9-10-20-50(48)53(51)37-45;1-2-12-37(13-3-1)56-51-20-10-8-18-46(51)49-32-36(24-30-52(49)56)35-22-25-38(26-23-35)55(40-28-31-54-50(34-40)47-19-9-11-21-53(47)57-54)39-27-29-45-43-16-5-4-14-41(43)42-15-6-7-17-44(42)48(45)33-39/h1-38H;1-34H.
What are the key properties of N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine?
N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine has a molecular weight of 1561.99 g/mol, XLogP of 33.16, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine is sourced from PubChem (CID 158224330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).