4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N,4-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;3-[3-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine

C182H121N5S4 — CID 158490369

IUPAC4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N,4-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;3-[3-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc21.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)cc2)cc1.c1ccc(-c2cccc3c2sc2c(-c4cccc(-c5cccc(-c6cnc7c8ccccc8c8ccccc8c7n6)c5)c4)cccc23)cc1.c1ccc2c(c1)sc1c(-c3cc(-c4cccc5c4sc4ccccc45)cc(-c4cccc5c4sc4ccccc45)c3)cccc12
InChIInChI=1S/C51H38N2.C46H28N2S.C43H31N.C42H24S3/c1-51(2)47-19-11-9-17-43(47)44-31-30-42(34-48(44)51)52(40-26-21-36(22-27-40)35-13-5-3-6-14-35)41-28-23-37(24-29-41)38-25-32-50-46(33-38)45-18-10-12-20-49(45)53(50)39-15-7-4-8-16-39;1-2-12-29(13-3-1)34-22-10-24-40-41-25-11-23-35(46(41)49-45(34)40)32-16-8-14-30(26-32)31-15-9-17-33(27-31)42-28-47-43-38-20-6-4-18-36(38)37-19-5-7-21-39(37)44(43)48-42;1-4-14-32(15-5-1)33-24-28-37(29-25-33)44(36-18-8-3-9-19-36)38-30-26-35(27-31-38)43(34-16-6-2-7-17-34)41-22-12-10-20-39(41)40-21-11-13-23-42(40)43;1-4-19-37-31(10-1)34-16-7-13-28(40(34)43-37)25-22-26(29-14-8-17-35-32-11-2-5-20-38(32)44-41(29)35)24-27(23-25)30-15-9-18-36-33-12-3-6-21-39(33)45-42(30)36/h3-34H,1-2H3;1-28H;1-31H;1-24H
InChIKeyHIPUODHDSRSBEX-UHFFFAOYSA-N
MW2506.27 g/mol
LogP51.84
Rot. Bonds19

About 4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N,4-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;3-[3-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine

4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N,4-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;3-[3-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine (PubChem CID 158490369) has the molecular formula C182H121N5S4 and a molecular weight of 2506.27 g/mol. Its IUPAC name is 4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N,4-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;3-[3-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N,4-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;3-[3-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
PubChem CID158490369
Molecular FormulaC182H121N5S4
Molecular Weight2506.27 g/mol
Exact Mass2503.85
IUPAC Name4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N,4-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;3-[3-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc21.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)cc2)cc1.c1ccc(-c2cccc3c2sc2c(-c4cccc(-c5cccc(-c6cnc7c8ccccc8c8ccccc8c7n6)c5)c4)cccc23)cc1.c1ccc2c(c1)sc1c(-c3cc(-c4cccc5c4sc4ccccc45)cc(-c4cccc5c4sc4ccccc45)c3)cccc12
InChIInChI=1S/C51H38N2.C46H28N2S.C43H31N.C42H24S3/c1-51(2)47-19-11-9-17-43(47)44-31-30-42(34-48(44)51)52(40-26-21-36(22-27-40)35-13-5-3-6-14-35)41-28-23-37(24-29-41)38-25-32-50-46(33-38)45-18-10-12-20-49(45)53(50)39-15-7-4-8-16-39;1-2-12-29(13-3-1)34-22-10-24-40-41-25-11-23-35(46(41)49-45(34)40)32-16-8-14-30(26-32)31-15-9-17-33(27-31)42-28-47-43-38-20-6-4-18-36(38)37-19-5-7-21-39(37)44(43)48-42;1-4-14-32(15-5-1)33-24-28-37(29-25-33)44(36-18-8-3-9-19-36)38-30-26-35(27-31-38)43(34-16-6-2-7-17-34)41-22-12-10-20-39(41)40-21-11-13-23-42(40)43;1-4-19-37-31(10-1)34-16-7-13-28(40(34)43-37)25-22-26(29-14-8-17-35-32-11-2-5-20-38(32)44-41(29)35)24-27(23-25)30-15-9-18-36-33-12-3-6-21-39(33)45-42(30)36/h3-34H,1-2H3;1-28H;1-31H;1-24H
InChIKeyHIPUODHDSRSBEX-UHFFFAOYSA-N
XLogP51.84
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms191
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002506.27
LogP ≤ 551.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N,4-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;3-[3-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine with MolForge

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Related Compounds

3-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine;4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;N,4-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N,4-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 158744697
CID 161406446
CID 161406446
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
N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 121381726
N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine;N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-N-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine;N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 162042014
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 160652754
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine;9,9-diphenyl-N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine;N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]dibenzothiophen-3-amine
CID 160655489
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(3-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine;9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 162087677
9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine;9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N,9,9-triphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 158043752
3-[9,9-diphenyl-7-[3-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-yl]phenanthro[9,10-b]pyrazine
CID 129063804
N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381453
3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[9,9-dimethyl-7-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)fluoren-2-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 158509894

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N,4-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;3-[3-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine?
The IUPAC name of 4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N,4-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;3-[3-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine (CID 158490369) is 4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N,4-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;3-[3-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine.
What is the SMILES notation for 4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N,4-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;3-[3-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine?
The canonical SMILES for 4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N,4-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;3-[3-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc21.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)cc2)cc1.c1ccc(-c2cccc3c2sc2c(-c4cccc(-c5cccc(-c6cnc7c8ccccc8c8ccccc8c7n6)c5)c4)cccc23)cc1.c1ccc2c(c1)sc1c(-c3cc(-c4cccc5c4sc4ccccc45)cc(-c4cccc5c4sc4ccccc45)c3)cccc12.
What is the InChIKey of 4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N,4-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;3-[3-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine?
The InChIKey is HIPUODHDSRSBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H38N2.C46H28N2S.C43H31N.C42H24S3/c1-51(2)47-19-11-9-17-43(47)44-31-30-42(34-48(44)51)52(40-26-21-36(22-27-40)35-13-5-3-6-14-35)41-28-23-37(24-29-41)38-25-32-50-46(33-38)45-18-10-12-20-49(45)53(50)39-15-7-4-8-16-39;1-2-12-29(13-3-1)34-22-10-24-40-41-25-11-23-35(46(41)49-45(34)40)32-16-8-14-30(26-32)31-15-9-17-33(27-31)42-28-47-43-38-20-6-4-18-36(38)37-19-5-7-21-39(37)44(43)48-42;1-4-14-32(15-5-1)33-24-28-37(29-25-33)44(36-18-8-3-9-19-36)38-30-26-35(27-31-38)43(34-16-6-2-7-17-34)41-22-12-10-20-39(41)40-21-11-13-23-42(40)43;1-4-19-37-31(10-1)34-16-7-13-28(40(34)43-37)25-22-26(29-14-8-17-35-32-11-2-5-20-38(32)44-41(29)35)24-27(23-25)30-15-9-18-36-33-12-3-6-21-39(33)45-42(30)36/h3-34H,1-2H3;1-28H;1-31H;1-24H.
What are the key properties of 4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N,4-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;3-[3-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine?
4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N,4-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;3-[3-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine has a molecular weight of 2506.27 g/mol, XLogP of 51.84, 19 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N,4-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;3-[3-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 158490369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).