N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]fluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]dibenzothiophen-2-amine

C177H122N6S3 — CID 161237159

IUPACN-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]fluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]dibenzothiophen-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc4c3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3ccc4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc4c3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc4c3)c3ccc4sc5ccccc5c4c3)cc21
InChIInChI=1S/2C61H42N2S.C55H38N2S/c1-61(2)55-20-9-6-15-49(55)50-33-32-47(38-56(50)61)62(45-29-25-39(26-30-45)48-18-12-19-53-52-17-8-11-22-59(52)64-60(48)53)46-31-27-41-35-40(23-24-42(41)36-46)43-28-34-58-54(37-43)51-16-7-10-21-57(51)63(58)44-13-4-3-5-14-44;1-61(2)55-17-9-6-14-49(55)50-31-30-48(38-56(50)61)62(46-27-22-39(23-28-46)43-26-33-60-54(37-43)52-16-8-11-19-59(52)64-60)47-29-24-41-34-40(20-21-42(41)35-47)44-25-32-58-53(36-44)51-15-7-10-18-57(51)63(58)45-12-4-3-5-13-45;1-55(2)49-17-9-6-14-43(49)44-27-25-42(34-50(44)55)56(41-26-29-54-48(33-41)46-16-8-11-19-53(46)58-54)40-24-22-36-30-35(20-21-37(36)31-40)38-23-28-52-47(32-38)45-15-7-10-18-51(45)57(52)39-12-4-3-5-13-39/h2*3-38H,1-2H3;3-34H,1-2H3
InChIKeyUZNJOWXTYHLSSC-UHFFFAOYSA-N
MW2429.17 g/mol
LogP50.58
Rot. Bonds17

About N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]fluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]dibenzothiophen-2-amine

N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]fluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]dibenzothiophen-2-amine (PubChem CID 161237159) has the molecular formula C177H122N6S3 and a molecular weight of 2429.17 g/mol. Its IUPAC name is N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]fluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]fluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]dibenzothiophen-2-amine
PubChem CID161237159
Molecular FormulaC177H122N6S3
Molecular Weight2429.17 g/mol
Exact Mass2426.89
IUPAC NameN-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]fluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]dibenzothiophen-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc4c3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3ccc4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc4c3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc4c3)c3ccc4sc5ccccc5c4c3)cc21
InChIInChI=1S/2C61H42N2S.C55H38N2S/c1-61(2)55-20-9-6-15-49(55)50-33-32-47(38-56(50)61)62(45-29-25-39(26-30-45)48-18-12-19-53-52-17-8-11-22-59(52)64-60(48)53)46-31-27-41-35-40(23-24-42(41)36-46)43-28-34-58-54(37-43)51-16-7-10-21-57(51)63(58)44-13-4-3-5-14-44;1-61(2)55-17-9-6-14-49(55)50-31-30-48(38-56(50)61)62(46-27-22-39(23-28-46)43-26-33-60-54(37-43)52-16-8-11-19-59(52)64-60)47-29-24-41-34-40(20-21-42(41)35-47)44-25-32-58-53(36-44)51-15-7-10-18-57(51)63(58)45-12-4-3-5-13-45;1-55(2)49-17-9-6-14-43(49)44-27-25-42(34-50(44)55)56(41-26-29-54-48(33-41)46-16-8-11-19-53(46)58-54)40-24-22-36-30-35(20-21-37(36)31-40)38-23-28-52-47(32-38)45-15-7-10-18-51(45)57(52)39-12-4-3-5-13-39/h2*3-38H,1-2H3;3-34H,1-2H3
InChIKeyUZNJOWXTYHLSSC-UHFFFAOYSA-N
XLogP50.58
TPSA24.51 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms186
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002429.17
LogP ≤ 550.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]fluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]dibenzothiophen-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]fluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]dibenzothiophen-2-amine?
The IUPAC name of N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]fluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]dibenzothiophen-2-amine (CID 161237159) is N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]fluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]dibenzothiophen-2-amine.
What is the SMILES notation for N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]fluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]dibenzothiophen-2-amine?
The canonical SMILES for N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]fluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]dibenzothiophen-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc4c3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3ccc4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc4c3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc4c3)c3ccc4sc5ccccc5c4c3)cc21.
What is the InChIKey of N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]fluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]dibenzothiophen-2-amine?
The InChIKey is UZNJOWXTYHLSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C61H42N2S.C55H38N2S/c1-61(2)55-20-9-6-15-49(55)50-33-32-47(38-56(50)61)62(45-29-25-39(26-30-45)48-18-12-19-53-52-17-8-11-22-59(52)64-60(48)53)46-31-27-41-35-40(23-24-42(41)36-46)43-28-34-58-54(37-43)51-16-7-10-21-57(51)63(58)44-13-4-3-5-14-44;1-61(2)55-17-9-6-14-49(55)50-31-30-48(38-56(50)61)62(46-27-22-39(23-28-46)43-26-33-60-54(37-43)52-16-8-11-19-59(52)64-60)47-29-24-41-34-40(20-21-42(41)35-47)44-25-32-58-53(36-44)51-15-7-10-18-57(51)63(58)45-12-4-3-5-13-45;1-55(2)49-17-9-6-14-43(49)44-27-25-42(34-50(44)55)56(41-26-29-54-48(33-41)46-16-8-11-19-53(46)58-54)40-24-22-36-30-35(20-21-37(36)31-40)38-23-28-52-47(32-38)45-15-7-10-18-51(45)57(52)39-12-4-3-5-13-39/h2*3-38H,1-2H3;3-34H,1-2H3.
What are the key properties of N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]fluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]dibenzothiophen-2-amine?
N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]fluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]dibenzothiophen-2-amine has a molecular weight of 2429.17 g/mol, XLogP of 50.58, 17 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]fluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]dibenzothiophen-2-amine is sourced from PubChem (CID 161237159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).