4-dibenzothiophen-2-yl-N,N-bis(4-dibenzothiophen-3-ylphenyl)aniline;9,9-dimethyl-N-(2-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine;4-(9-phenylcarbazol-3-yl)-N,N-bis[4-(9-phenylcarbazol-2-yl)phenyl]aniline

C184H122N6S3 — CID 159135474

IUPAC4-dibenzothiophen-2-yl-N,N-bis(4-dibenzothiophen-3-ylphenyl)aniline;9,9-dimethyl-N-(2-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine;4-(9-phenylcarbazol-3-yl)-N,N-bis[4-(9-phenylcarbazol-2-yl)phenyl]aniline
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)cc3)c3ccccc3-c3ccccc3)cc21.c1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc5)c5ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc5)cc4)ccc32)cc1.c1ccc2c(c1)sc1cc(-c3ccc(N(c4ccc(-c5ccc6c(c5)sc5ccccc56)cc4)c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cc3)ccc12
InChIInChI=1S/C72H48N4.C58H41N.C54H33NS3/c1-4-16-55(17-5-1)74-69-27-15-12-24-63(69)66-46-52(36-45-70(66)74)49-28-37-58(38-29-49)73(59-39-30-50(31-40-59)53-34-43-64-61-22-10-13-25-67(61)75(71(64)47-53)56-18-6-2-7-19-56)60-41-32-51(33-42-60)54-35-44-65-62-23-11-14-26-68(62)76(72(65)48-54)57-20-8-3-9-21-57;1-57(2)49-25-11-6-20-44(49)47-36-35-41(37-54(47)57)59(55-30-15-10-19-42(55)38-17-4-3-5-18-38)40-33-31-39(32-34-40)43-24-16-29-53-56(43)48-23-9-14-28-52(48)58(53)50-26-12-7-21-45(50)46-22-8-13-27-51(46)58;1-4-10-49-43(7-1)46-28-19-38(32-53(46)57-49)35-15-24-41(25-16-35)55(40-22-13-34(14-23-40)37-21-30-52-48(31-37)45-9-3-6-12-51(45)56-52)42-26-17-36(18-27-42)39-20-29-47-44-8-2-5-11-50(44)58-54(47)33-39/h1-48H;3-37H,1-2H3;1-33H
InChIKeyKHKXGIFYYRQERH-UHFFFAOYSA-N
MW2513.24 g/mol
LogP51.85
Rot. Bonds20

About 4-dibenzothiophen-2-yl-N,N-bis(4-dibenzothiophen-3-ylphenyl)aniline;9,9-dimethyl-N-(2-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine;4-(9-phenylcarbazol-3-yl)-N,N-bis[4-(9-phenylcarbazol-2-yl)phenyl]aniline

4-dibenzothiophen-2-yl-N,N-bis(4-dibenzothiophen-3-ylphenyl)aniline;9,9-dimethyl-N-(2-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine;4-(9-phenylcarbazol-3-yl)-N,N-bis[4-(9-phenylcarbazol-2-yl)phenyl]aniline (PubChem CID 159135474) has the molecular formula C184H122N6S3 and a molecular weight of 2513.24 g/mol. Its IUPAC name is 4-dibenzothiophen-2-yl-N,N-bis(4-dibenzothiophen-3-ylphenyl)aniline;9,9-dimethyl-N-(2-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine;4-(9-phenylcarbazol-3-yl)-N,N-bis[4-(9-phenylcarbazol-2-yl)phenyl]aniline.

Molecular Properties

Compound Name4-dibenzothiophen-2-yl-N,N-bis(4-dibenzothiophen-3-ylphenyl)aniline;9,9-dimethyl-N-(2-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine;4-(9-phenylcarbazol-3-yl)-N,N-bis[4-(9-phenylcarbazol-2-yl)phenyl]aniline
PubChem CID159135474
Molecular FormulaC184H122N6S3
Molecular Weight2513.24 g/mol
Exact Mass2510.89
IUPAC Name4-dibenzothiophen-2-yl-N,N-bis(4-dibenzothiophen-3-ylphenyl)aniline;9,9-dimethyl-N-(2-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine;4-(9-phenylcarbazol-3-yl)-N,N-bis[4-(9-phenylcarbazol-2-yl)phenyl]aniline
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)cc3)c3ccccc3-c3ccccc3)cc21.c1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc5)c5ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc5)cc4)ccc32)cc1.c1ccc2c(c1)sc1cc(-c3ccc(N(c4ccc(-c5ccc6c(c5)sc5ccccc56)cc4)c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cc3)ccc12
InChIInChI=1S/C72H48N4.C58H41N.C54H33NS3/c1-4-16-55(17-5-1)74-69-27-15-12-24-63(69)66-46-52(36-45-70(66)74)49-28-37-58(38-29-49)73(59-39-30-50(31-40-59)53-34-43-64-61-22-10-13-25-67(61)75(71(64)47-53)56-18-6-2-7-19-56)60-41-32-51(33-42-60)54-35-44-65-62-23-11-14-26-68(62)76(72(65)48-54)57-20-8-3-9-21-57;1-57(2)49-25-11-6-20-44(49)47-36-35-41(37-54(47)57)59(55-30-15-10-19-42(55)38-17-4-3-5-18-38)40-33-31-39(32-34-40)43-24-16-29-53-56(43)48-23-9-14-28-52(48)58(53)50-26-12-7-21-45(50)46-22-8-13-27-51(46)58;1-4-10-49-43(7-1)46-28-19-38(32-53(46)57-49)35-15-24-41(25-16-35)55(40-22-13-34(14-23-40)37-21-30-52-48(31-37)45-9-3-6-12-51(45)56-52)42-26-17-36(18-27-42)39-20-29-47-44-8-2-5-11-50(44)58-54(47)33-39/h1-48H;3-37H,1-2H3;1-33H
InChIKeyKHKXGIFYYRQERH-UHFFFAOYSA-N
XLogP51.85
TPSA24.51 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds20
Heavy Atoms193
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002513.24
LogP ≤ 551.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-dibenzothiophen-2-yl-N,N-bis(4-dibenzothiophen-3-ylphenyl)aniline;9,9-dimethyl-N-(2-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine;4-(9-phenylcarbazol-3-yl)-N,N-bis[4-(9-phenylcarbazol-2-yl)phenyl]aniline with MolForge

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Related Compounds

N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;N-[4-[4-(N-dibenzothiophen-3-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine;2-N,8-N-dinaphthalen-1-yl-2-N,8-N-diphenyldibenzothiophene-2,8-diamine;N-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 158464219
N-[2-(9-dibenzothiophen-2-ylcarbazol-2-yl)phenyl]-N,9-diphenylcarbazol-2-amine;N-dibenzothiophen-3-yl-N-[2-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[2-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-amine
CID 158675662
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-8-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 138577563
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
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine;N-(4-carbazol-9-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine
CID 160536193
9,9-dimethyl-5-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 155153906
N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-4-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[2-(9-phenylcarbazol-1-yl)phenyl]fluoren-4-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine
CID 162216523
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129259019
N-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine
CID 162233532
N-(4-dibenzothiophen-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-4-amine;N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[2-(9-phenylcarbazol-1-yl)phenyl]fluoren-4-amine;N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine;N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]fluoren-4-amine
CID 160700162
5-(4-dibenzothiophen-2-ylphenyl)-11,11-dimethylindeno[1,2-b]carbazole;6-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-N,N,9-triphenylcarbazol-3-amine;5'-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole]
CID 161353306
N-(4-dibenzothiophen-2-ylphenyl)-N-[2-(2-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine;N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(2-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine
CID 158365514

Frequently Asked Questions

What is the IUPAC name of 4-dibenzothiophen-2-yl-N,N-bis(4-dibenzothiophen-3-ylphenyl)aniline;9,9-dimethyl-N-(2-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine;4-(9-phenylcarbazol-3-yl)-N,N-bis[4-(9-phenylcarbazol-2-yl)phenyl]aniline?
The IUPAC name of 4-dibenzothiophen-2-yl-N,N-bis(4-dibenzothiophen-3-ylphenyl)aniline;9,9-dimethyl-N-(2-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine;4-(9-phenylcarbazol-3-yl)-N,N-bis[4-(9-phenylcarbazol-2-yl)phenyl]aniline (CID 159135474) is 4-dibenzothiophen-2-yl-N,N-bis(4-dibenzothiophen-3-ylphenyl)aniline;9,9-dimethyl-N-(2-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine;4-(9-phenylcarbazol-3-yl)-N,N-bis[4-(9-phenylcarbazol-2-yl)phenyl]aniline.
What is the SMILES notation for 4-dibenzothiophen-2-yl-N,N-bis(4-dibenzothiophen-3-ylphenyl)aniline;9,9-dimethyl-N-(2-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine;4-(9-phenylcarbazol-3-yl)-N,N-bis[4-(9-phenylcarbazol-2-yl)phenyl]aniline?
The canonical SMILES for 4-dibenzothiophen-2-yl-N,N-bis(4-dibenzothiophen-3-ylphenyl)aniline;9,9-dimethyl-N-(2-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine;4-(9-phenylcarbazol-3-yl)-N,N-bis[4-(9-phenylcarbazol-2-yl)phenyl]aniline is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)cc3)c3ccccc3-c3ccccc3)cc21.c1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc5)c5ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc5)cc4)ccc32)cc1.c1ccc2c(c1)sc1cc(-c3ccc(N(c4ccc(-c5ccc6c(c5)sc5ccccc56)cc4)c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cc3)ccc12.
What is the InChIKey of 4-dibenzothiophen-2-yl-N,N-bis(4-dibenzothiophen-3-ylphenyl)aniline;9,9-dimethyl-N-(2-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine;4-(9-phenylcarbazol-3-yl)-N,N-bis[4-(9-phenylcarbazol-2-yl)phenyl]aniline?
The InChIKey is KHKXGIFYYRQERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H48N4.C58H41N.C54H33NS3/c1-4-16-55(17-5-1)74-69-27-15-12-24-63(69)66-46-52(36-45-70(66)74)49-28-37-58(38-29-49)73(59-39-30-50(31-40-59)53-34-43-64-61-22-10-13-25-67(61)75(71(64)47-53)56-18-6-2-7-19-56)60-41-32-51(33-42-60)54-35-44-65-62-23-11-14-26-68(62)76(72(65)48-54)57-20-8-3-9-21-57;1-57(2)49-25-11-6-20-44(49)47-36-35-41(37-54(47)57)59(55-30-15-10-19-42(55)38-17-4-3-5-18-38)40-33-31-39(32-34-40)43-24-16-29-53-56(43)48-23-9-14-28-52(48)58(53)50-26-12-7-21-45(50)46-22-8-13-27-51(46)58;1-4-10-49-43(7-1)46-28-19-38(32-53(46)57-49)35-15-24-41(25-16-35)55(40-22-13-34(14-23-40)37-21-30-52-48(31-37)45-9-3-6-12-51(45)56-52)42-26-17-36(18-27-42)39-20-29-47-44-8-2-5-11-50(44)58-54(47)33-39/h1-48H;3-37H,1-2H3;1-33H.
What are the key properties of 4-dibenzothiophen-2-yl-N,N-bis(4-dibenzothiophen-3-ylphenyl)aniline;9,9-dimethyl-N-(2-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine;4-(9-phenylcarbazol-3-yl)-N,N-bis[4-(9-phenylcarbazol-2-yl)phenyl]aniline?
4-dibenzothiophen-2-yl-N,N-bis(4-dibenzothiophen-3-ylphenyl)aniline;9,9-dimethyl-N-(2-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine;4-(9-phenylcarbazol-3-yl)-N,N-bis[4-(9-phenylcarbazol-2-yl)phenyl]aniline has a molecular weight of 2513.24 g/mol, XLogP of 51.85, 20 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzothiophen-2-yl-N,N-bis(4-dibenzothiophen-3-ylphenyl)aniline;9,9-dimethyl-N-(2-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine;4-(9-phenylcarbazol-3-yl)-N,N-bis[4-(9-phenylcarbazol-2-yl)phenyl]aniline is sourced from PubChem (CID 159135474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).