N-(9-dibenzothiophen-3-yl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;N,9-diphenyl-9-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine;N,N,9-triphenyl-9-(9-phenylcarbazol-3-yl)fluoren-2-amine

C159H107N5S2 — CID 157084846

IUPACN-(9-dibenzothiophen-3-yl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;N,9-diphenyl-9-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine;N,N,9-triphenyl-9-(9-phenylcarbazol-3-yl)fluoren-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccc5c(c3)sc3ccccc35)c3ccccc3-4)c3ccc4c(c3)sc3ccccc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C(c3ccccc3)(c3ccc5c(c3)c3ccccc3n5-c3ccccc3)c3ccccc3-4)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)C(c2ccccc2)(c2ccc4c(c2)c2ccccc2n4-c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C55H38N2.C55H35NS2.C49H34N2/c1-5-17-39(18-6-1)40-29-32-45(33-30-40)56(43-21-9-3-10-22-43)46-34-35-48-47-25-13-15-27-51(47)55(52(48)38-46,41-19-7-2-8-20-41)42-31-36-54-50(37-42)49-26-14-16-28-53(49)57(54)44-23-11-4-12-24-44;1-3-13-36(14-4-1)37-23-26-40(27-24-37)56(42-29-32-48-46-19-9-12-22-52(46)58-54(48)35-42)41-28-31-44-43-17-7-10-20-49(43)55(50(44)34-41,38-15-5-2-6-16-38)39-25-30-47-45-18-8-11-21-51(45)57-53(47)33-39;1-5-17-35(18-6-1)49(36-29-32-48-44(33-36)43-26-14-16-28-47(43)51(48)39-23-11-4-12-24-39)45-27-15-13-25-41(45)42-31-30-40(34-46(42)49)50(37-19-7-2-8-20-37)38-21-9-3-10-22-38/h1-38H;1-35H;1-34H
InChIKeyADYWQTOPMZHYIV-UHFFFAOYSA-N
MW2151.77 g/mol
LogP42.82
Rot. Bonds19

About N-(9-dibenzothiophen-3-yl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;N,9-diphenyl-9-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine;N,N,9-triphenyl-9-(9-phenylcarbazol-3-yl)fluoren-2-amine

N-(9-dibenzothiophen-3-yl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;N,9-diphenyl-9-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine;N,N,9-triphenyl-9-(9-phenylcarbazol-3-yl)fluoren-2-amine (PubChem CID 157084846) has the molecular formula C159H107N5S2 and a molecular weight of 2151.77 g/mol. Its IUPAC name is N-(9-dibenzothiophen-3-yl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;N,9-diphenyl-9-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine;N,N,9-triphenyl-9-(9-phenylcarbazol-3-yl)fluoren-2-amine.

Molecular Properties

Compound NameN-(9-dibenzothiophen-3-yl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;N,9-diphenyl-9-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine;N,N,9-triphenyl-9-(9-phenylcarbazol-3-yl)fluoren-2-amine
PubChem CID157084846
Molecular FormulaC159H107N5S2
Molecular Weight2151.77 g/mol
Exact Mass2149.80
IUPAC NameN-(9-dibenzothiophen-3-yl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;N,9-diphenyl-9-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine;N,N,9-triphenyl-9-(9-phenylcarbazol-3-yl)fluoren-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccc5c(c3)sc3ccccc35)c3ccccc3-4)c3ccc4c(c3)sc3ccccc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C(c3ccccc3)(c3ccc5c(c3)c3ccccc3n5-c3ccccc3)c3ccccc3-4)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)C(c2ccccc2)(c2ccc4c(c2)c2ccccc2n4-c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C55H38N2.C55H35NS2.C49H34N2/c1-5-17-39(18-6-1)40-29-32-45(33-30-40)56(43-21-9-3-10-22-43)46-34-35-48-47-25-13-15-27-51(47)55(52(48)38-46,41-19-7-2-8-20-41)42-31-36-54-50(37-42)49-26-14-16-28-53(49)57(54)44-23-11-4-12-24-44;1-3-13-36(14-4-1)37-23-26-40(27-24-37)56(42-29-32-48-46-19-9-12-22-52(46)58-54(48)35-42)41-28-31-44-43-17-7-10-20-49(43)55(50(44)34-41,38-15-5-2-6-16-38)39-25-30-47-45-18-8-11-21-51(45)57-53(47)33-39;1-5-17-35(18-6-1)49(36-29-32-48-44(33-36)43-26-14-16-28-47(43)51(48)39-23-11-4-12-24-39)45-27-15-13-25-41(45)42-31-30-40(34-46(42)49)50(37-19-7-2-8-20-37)38-21-9-3-10-22-38/h1-38H;1-35H;1-34H
InChIKeyADYWQTOPMZHYIV-UHFFFAOYSA-N
XLogP42.82
TPSA19.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms166
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002151.77
LogP ≤ 542.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-(9-dibenzothiophen-3-yl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;N,9-diphenyl-9-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine;N,N,9-triphenyl-9-(9-phenylcarbazol-3-yl)fluoren-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(9-dibenzothiophen-3-yl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;N,9-diphenyl-9-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine;N,N,9-triphenyl-9-(9-phenylcarbazol-3-yl)fluoren-2-amine?
The IUPAC name of N-(9-dibenzothiophen-3-yl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;N,9-diphenyl-9-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine;N,N,9-triphenyl-9-(9-phenylcarbazol-3-yl)fluoren-2-amine (CID 157084846) is N-(9-dibenzothiophen-3-yl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;N,9-diphenyl-9-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine;N,N,9-triphenyl-9-(9-phenylcarbazol-3-yl)fluoren-2-amine.
What is the SMILES notation for N-(9-dibenzothiophen-3-yl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;N,9-diphenyl-9-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine;N,N,9-triphenyl-9-(9-phenylcarbazol-3-yl)fluoren-2-amine?
The canonical SMILES for N-(9-dibenzothiophen-3-yl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;N,9-diphenyl-9-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine;N,N,9-triphenyl-9-(9-phenylcarbazol-3-yl)fluoren-2-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccc5c(c3)sc3ccccc35)c3ccccc3-4)c3ccc4c(c3)sc3ccccc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C(c3ccccc3)(c3ccc5c(c3)c3ccccc3n5-c3ccccc3)c3ccccc3-4)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)C(c2ccccc2)(c2ccc4c(c2)c2ccccc2n4-c2ccccc2)c2ccccc2-3)cc1.
What is the InChIKey of N-(9-dibenzothiophen-3-yl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;N,9-diphenyl-9-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine;N,N,9-triphenyl-9-(9-phenylcarbazol-3-yl)fluoren-2-amine?
The InChIKey is ADYWQTOPMZHYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N2.C55H35NS2.C49H34N2/c1-5-17-39(18-6-1)40-29-32-45(33-30-40)56(43-21-9-3-10-22-43)46-34-35-48-47-25-13-15-27-51(47)55(52(48)38-46,41-19-7-2-8-20-41)42-31-36-54-50(37-42)49-26-14-16-28-53(49)57(54)44-23-11-4-12-24-44;1-3-13-36(14-4-1)37-23-26-40(27-24-37)56(42-29-32-48-46-19-9-12-22-52(46)58-54(48)35-42)41-28-31-44-43-17-7-10-20-49(43)55(50(44)34-41,38-15-5-2-6-16-38)39-25-30-47-45-18-8-11-21-51(45)57-53(47)33-39;1-5-17-35(18-6-1)49(36-29-32-48-44(33-36)43-26-14-16-28-47(43)51(48)39-23-11-4-12-24-39)45-27-15-13-25-41(45)42-31-30-40(34-46(42)49)50(37-19-7-2-8-20-37)38-21-9-3-10-22-38/h1-38H;1-35H;1-34H.
What are the key properties of N-(9-dibenzothiophen-3-yl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;N,9-diphenyl-9-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine;N,N,9-triphenyl-9-(9-phenylcarbazol-3-yl)fluoren-2-amine?
N-(9-dibenzothiophen-3-yl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;N,9-diphenyl-9-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine;N,N,9-triphenyl-9-(9-phenylcarbazol-3-yl)fluoren-2-amine has a molecular weight of 2151.77 g/mol, XLogP of 42.82, 19 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-dibenzothiophen-3-yl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;N,9-diphenyl-9-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine;N,N,9-triphenyl-9-(9-phenylcarbazol-3-yl)fluoren-2-amine is sourced from PubChem (CID 157084846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).