9-[4-[4,6-bis(4-phenylphenyl)-2-pyridinyl]phenyl]-3-(5-dibenzothiophen-2-ylnaphthalen-1-yl)carbazole;9-[4-[4,6-bis(4-phenylphenyl)-2-pyridinyl]phenyl]-3-(5-dibenzothiophen-4-ylnaphthalen-1-yl)carbazole;3-(3-dibenzofuran-4-ylphenyl)-9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazole

C191H122N6OS2 — CID 157098394

IUPAC9-[4-[4,6-bis(4-phenylphenyl)-2-pyridinyl]phenyl]-3-(5-dibenzothiophen-2-ylnaphthalen-1-yl)carbazole;9-[4-[4,6-bis(4-phenylphenyl)-2-pyridinyl]phenyl]-3-(5-dibenzothiophen-4-ylnaphthalen-1-yl)carbazole;3-(3-dibenzofuran-4-ylphenyl)-9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6cccc(-c7cccc8c7oc7ccccc78)c6)ccc54)cc3)c2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-n5c6ccccc6c6cc(-c7cccc8c(-c9ccc%10sc%11ccccc%11c%10c9)cccc78)ccc65)cc4)c3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-n5c6ccccc6c6cc(-c7cccc8c(-c9cccc%10c9sc9ccccc9%10)cccc78)ccc65)cc4)c3)cc2)cc1
InChIInChI=1S/2C69H44N2S.C53H34N2O/c1-3-14-45(15-4-1)47-28-30-49(31-29-47)53-43-64(50-34-32-48(33-35-50)46-16-5-2-6-17-46)70-65(44-53)51-36-39-54(40-37-51)71-66-26-9-7-18-59(66)63-42-52(38-41-67(63)71)55-20-11-22-57-56(55)21-12-23-58(57)61-24-13-25-62-60-19-8-10-27-68(60)72-69(61)62;1-3-13-45(14-4-1)47-25-27-49(28-26-47)54-43-64(50-31-29-48(30-32-50)46-15-5-2-6-16-46)70-65(44-54)51-33-37-55(38-34-51)71-66-23-9-7-17-60(66)62-41-52(35-39-67(62)71)56-19-11-22-59-57(20-12-21-58(56)59)53-36-40-69-63(42-53)61-18-8-10-24-68(61)72-69;1-3-13-35(14-4-1)41-33-48(36-15-5-2-6-16-36)54-49(34-41)37-25-28-42(29-26-37)55-50-23-9-7-19-44(50)47-32-39(27-30-51(47)55)38-17-11-18-40(31-38)43-21-12-22-46-45-20-8-10-24-52(45)56-53(43)46/h2*1-44H;1-34H
InChIKeyAFMATJWHMQZDOZ-UHFFFAOYSA-N
MW2581.25 g/mol
LogP53.15
Rot. Bonds22

About 9-[4-[4,6-bis(4-phenylphenyl)-2-pyridinyl]phenyl]-3-(5-dibenzothiophen-2-ylnaphthalen-1-yl)carbazole;9-[4-[4,6-bis(4-phenylphenyl)-2-pyridinyl]phenyl]-3-(5-dibenzothiophen-4-ylnaphthalen-1-yl)carbazole;3-(3-dibenzofuran-4-ylphenyl)-9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazole

9-[4-[4,6-bis(4-phenylphenyl)-2-pyridinyl]phenyl]-3-(5-dibenzothiophen-2-ylnaphthalen-1-yl)carbazole;9-[4-[4,6-bis(4-phenylphenyl)-2-pyridinyl]phenyl]-3-(5-dibenzothiophen-4-ylnaphthalen-1-yl)carbazole;3-(3-dibenzofuran-4-ylphenyl)-9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazole (PubChem CID 157098394) has the molecular formula C191H122N6OS2 and a molecular weight of 2581.25 g/mol. Its IUPAC name is 9-[4-[4,6-bis(4-phenylphenyl)-2-pyridinyl]phenyl]-3-(5-dibenzothiophen-2-ylnaphthalen-1-yl)carbazole;9-[4-[4,6-bis(4-phenylphenyl)-2-pyridinyl]phenyl]-3-(5-dibenzothiophen-4-ylnaphthalen-1-yl)carbazole;3-(3-dibenzofuran-4-ylphenyl)-9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[4,6-bis(4-phenylphenyl)-2-pyridinyl]phenyl]-3-(5-dibenzothiophen-2-ylnaphthalen-1-yl)carbazole;9-[4-[4,6-bis(4-phenylphenyl)-2-pyridinyl]phenyl]-3-(5-dibenzothiophen-4-ylnaphthalen-1-yl)carbazole;3-(3-dibenzofuran-4-ylphenyl)-9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazole
PubChem CID157098394
Molecular FormulaC191H122N6OS2
Molecular Weight2581.25 g/mol
Exact Mass2578.91
IUPAC Name9-[4-[4,6-bis(4-phenylphenyl)-2-pyridinyl]phenyl]-3-(5-dibenzothiophen-2-ylnaphthalen-1-yl)carbazole;9-[4-[4,6-bis(4-phenylphenyl)-2-pyridinyl]phenyl]-3-(5-dibenzothiophen-4-ylnaphthalen-1-yl)carbazole;3-(3-dibenzofuran-4-ylphenyl)-9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6cccc(-c7cccc8c7oc7ccccc78)c6)ccc54)cc3)c2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-n5c6ccccc6c6cc(-c7cccc8c(-c9ccc%10sc%11ccccc%11c%10c9)cccc78)ccc65)cc4)c3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-n5c6ccccc6c6cc(-c7cccc8c(-c9cccc%10c9sc9ccccc9%10)cccc78)ccc65)cc4)c3)cc2)cc1
InChIInChI=1S/2C69H44N2S.C53H34N2O/c1-3-14-45(15-4-1)47-28-30-49(31-29-47)53-43-64(50-34-32-48(33-35-50)46-16-5-2-6-17-46)70-65(44-53)51-36-39-54(40-37-51)71-66-26-9-7-18-59(66)63-42-52(38-41-67(63)71)55-20-11-22-57-56(55)21-12-23-58(57)61-24-13-25-62-60-19-8-10-27-68(60)72-69(61)62;1-3-13-45(14-4-1)47-25-27-49(28-26-47)54-43-64(50-31-29-48(30-32-50)46-15-5-2-6-16-46)70-65(44-54)51-33-37-55(38-34-51)71-66-23-9-7-17-60(66)62-41-52(35-39-67(62)71)56-19-11-22-59-57(20-12-21-58(56)59)53-36-40-69-63(42-53)61-18-8-10-24-68(61)72-69;1-3-13-35(14-4-1)41-33-48(36-15-5-2-6-16-36)54-49(34-41)37-25-28-42(29-26-37)55-50-23-9-7-19-44(50)47-32-39(27-30-51(47)55)38-17-11-18-40(31-38)43-21-12-22-46-45-20-8-10-24-52(45)56-53(43)46/h2*1-44H;1-34H
InChIKeyAFMATJWHMQZDOZ-UHFFFAOYSA-N
XLogP53.15
TPSA66.60 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds22
Heavy Atoms200
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002581.25
LogP ≤ 553.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 9-[4-[4,6-bis(4-phenylphenyl)-2-pyridinyl]phenyl]-3-(5-dibenzothiophen-2-ylnaphthalen-1-yl)carbazole;9-[4-[4,6-bis(4-phenylphenyl)-2-pyridinyl]phenyl]-3-(5-dibenzothiophen-4-ylnaphthalen-1-yl)carbazole;3-(3-dibenzofuran-4-ylphenyl)-9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazole with MolForge

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Related Compounds

3-Dibenzofuran-2-yl-9-(2,3-diphenyl-1-benzothiophen-5-yl)-1,8-difluoro-6-methylcarbazole
CID 134337714
6-Dibenzofuran-4-yl-9-dibenzothiophen-2-yl-2-fluorocarbazole
CID 146368869
N-[4-([1]benzothiolo[3,2-b][1]benzofuran-2-yl)phenyl]-4-[9-(4-fluorophenyl)carbazol-3-yl]-N-phenylaniline
CID 155135461
N-[4-([1]benzothiolo[3,2-b][1]benzofuran-7-yl)phenyl]-4-[9-(4-fluorophenyl)carbazol-3-yl]-N-phenylaniline
CID 155135572
9-(10-Anthracen-9-ylanthracen-9-yl)-11,11-dimethylphenanthro[1,2-b][1]benzosilole;11,11-diphenyl-9-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]phenanthro[1,2-b][1]benzosilole;11,11-diphenyl-9-[10-[10-(trifluoromethyl)anthracen-9-yl]anthracen-9-yl]phenanthro[1,2-b][1]benzosilole;9-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-11,11-diphenylphenanthro[1,2-b][1]benzosilole;9-[10-(4-octylanthracen-9-yl)anthracen-9-yl]-11,11-diphenylphenanthro[1,2-b][1]benzosilole;19-[10-(10-phenanthren-3-ylanthracen-9-yl)anthracen-9-yl]-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;3-[10-(10-phenanthro[1,2-b][1]benzothiol-9-ylanthracen-9-yl)anthracen-9-yl]-9-phenylcarbazole
CID 157847024
5-(1H-inden-2-yl)-2-[6-(3-phenylphenyl)-2-pyridinyl]-[1]benzothiolo[3,2-c]carbazole;5-phenyl-2-(4-phenyl-2-pyridinyl)-9-(trifluoromethyl)-[1]benzothiolo[3,2-c]carbazole;5-phenyl-2-pyridin-2-yl-10-pyrrol-1-yl-[1]benzofuro[3,2-c]carbazole
CID 157966969
9-Bis(4-fluorophenyl)phosphoryl-14-phenylbenzo[b]triphenylene;9-bis[4-(trifluoromethyl)phenyl]phosphoryl-14-phenylbenzo[b]triphenylene;2-[dibenzofuran-2-yl-(14-phenylbenzo[b]triphenylen-9-yl)phosphoryl]dibenzofuran;2-[dibenzothiophen-2-yl-(14-phenylbenzo[b]triphenylen-9-yl)phosphoryl]dibenzothiophene;diphenyl-(14-phenylbenzo[b]triphenylen-9-yl)-selanylidene-lambda5-phosphane;diphenyl-(14-phenylbenzo[b]triphenylen-9-yl)-sulfanylidene-lambda5-phosphane;1-(4-diphenylphosphorylphenyl)triphenylene;2-(4-diphenylphosphorylphenyl)triphenylene;9-phenyl-3-[(14-phenylbenzo[b]triphenylen-9-yl)-(9-phenylcarbazol-3-yl)phosphoryl]carbazole
CID 159931758
3-[2-(3-Dibenzofuran-4-yldibenzothiophen-2-yl)ethynyl]-9-phenylcarbazole;2-iododibenzothiophen-3-ol;2-[2-(9-phenylcarbazol-3-yl)ethynyl]dibenzothiophen-3-ol;[2-[2-(9-phenylcarbazol-3-yl)ethynyl]dibenzothiophen-3-yl] trifluoromethanesulfonate
CID 160192455
2-[Benzo[b]triphenylen-9-yl(dibenzofuran-2-yl)phosphoryl]dibenzofuran;2-[benzo[b]triphenylen-9-yl(dibenzothiophen-2-yl)phosphoryl]dibenzothiophene;benzo[b]triphenylen-9-yl-diphenyl-selanylidene-lambda5-phosphane;benzo[b]triphenylen-9-yl-diphenyl-sulfanylidene-lambda5-phosphane;3-[benzo[b]triphenylen-9-yl-(9-phenylcarbazol-3-yl)phosphoryl]-9-phenylcarbazole;9-bis(4-fluorophenyl)phosphorylbenzo[b]triphenylene;9-bis(4-phenylphenyl)phosphoryl-14-phenylbenzo[b]triphenylene;9-bis[4-(trifluoromethyl)phenyl]phosphorylbenzo[b]triphenylene;9-diphenylphosphoryl-14-phenylbenzo[b]triphenylene
CID 160241985
20-(4-Methoxyphenyl)-18-methyl-10-oxa-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;17-methyl-20-(9-phenylcarbazol-3-yl)-10-thia-15,18-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;15-methyl-20-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-10-thia-18-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;12-(9-phenylcarbazol-2-yl)-23-oxa-4-azahexacyclo[12.11.0.02,11.05,10.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene
CID 160627340
9-Dibenzothiophen-2-yl-3-isocyano-6-(2-methylphenyl)carbazole;3-isocyano-9-[6-[3-(trifluoromethyl)carbazol-9-yl]dibenzothiophen-2-yl]carbazole;9-[8-(2,3,4,5,6-pentafluorophenyl)dibenzothiophen-2-yl]carbazole;9-[8-(2,3,4,5,6-pentafluorophenyl)dibenzothiophen-4-yl]carbazole;8-(3-phenylcarbazol-9-yl)dibenzothiophene-2-carbonitrile;2-(8-phenyldibenzothiophen-4-yl)dibenzofuran
CID 162139612
N-(4-dibenzofuran-4-ylphenyl)-N-[4-[2-(2-fluorocarbazol-9-yl)phenyl]phenyl]dibenzothiophen-2-amine
CID 169073534

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4,6-bis(4-phenylphenyl)-2-pyridinyl]phenyl]-3-(5-dibenzothiophen-2-ylnaphthalen-1-yl)carbazole;9-[4-[4,6-bis(4-phenylphenyl)-2-pyridinyl]phenyl]-3-(5-dibenzothiophen-4-ylnaphthalen-1-yl)carbazole;3-(3-dibenzofuran-4-ylphenyl)-9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazole?
The IUPAC name of 9-[4-[4,6-bis(4-phenylphenyl)-2-pyridinyl]phenyl]-3-(5-dibenzothiophen-2-ylnaphthalen-1-yl)carbazole;9-[4-[4,6-bis(4-phenylphenyl)-2-pyridinyl]phenyl]-3-(5-dibenzothiophen-4-ylnaphthalen-1-yl)carbazole;3-(3-dibenzofuran-4-ylphenyl)-9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazole (CID 157098394) is 9-[4-[4,6-bis(4-phenylphenyl)-2-pyridinyl]phenyl]-3-(5-dibenzothiophen-2-ylnaphthalen-1-yl)carbazole;9-[4-[4,6-bis(4-phenylphenyl)-2-pyridinyl]phenyl]-3-(5-dibenzothiophen-4-ylnaphthalen-1-yl)carbazole;3-(3-dibenzofuran-4-ylphenyl)-9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazole.
What is the SMILES notation for 9-[4-[4,6-bis(4-phenylphenyl)-2-pyridinyl]phenyl]-3-(5-dibenzothiophen-2-ylnaphthalen-1-yl)carbazole;9-[4-[4,6-bis(4-phenylphenyl)-2-pyridinyl]phenyl]-3-(5-dibenzothiophen-4-ylnaphthalen-1-yl)carbazole;3-(3-dibenzofuran-4-ylphenyl)-9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazole?
The canonical SMILES for 9-[4-[4,6-bis(4-phenylphenyl)-2-pyridinyl]phenyl]-3-(5-dibenzothiophen-2-ylnaphthalen-1-yl)carbazole;9-[4-[4,6-bis(4-phenylphenyl)-2-pyridinyl]phenyl]-3-(5-dibenzothiophen-4-ylnaphthalen-1-yl)carbazole;3-(3-dibenzofuran-4-ylphenyl)-9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazole is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6cccc(-c7cccc8c7oc7ccccc78)c6)ccc54)cc3)c2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-n5c6ccccc6c6cc(-c7cccc8c(-c9ccc%10sc%11ccccc%11c%10c9)cccc78)ccc65)cc4)c3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-n5c6ccccc6c6cc(-c7cccc8c(-c9cccc%10c9sc9ccccc9%10)cccc78)ccc65)cc4)c3)cc2)cc1.
What is the InChIKey of 9-[4-[4,6-bis(4-phenylphenyl)-2-pyridinyl]phenyl]-3-(5-dibenzothiophen-2-ylnaphthalen-1-yl)carbazole;9-[4-[4,6-bis(4-phenylphenyl)-2-pyridinyl]phenyl]-3-(5-dibenzothiophen-4-ylnaphthalen-1-yl)carbazole;3-(3-dibenzofuran-4-ylphenyl)-9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazole?
The InChIKey is AFMATJWHMQZDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C69H44N2S.C53H34N2O/c1-3-14-45(15-4-1)47-28-30-49(31-29-47)53-43-64(50-34-32-48(33-35-50)46-16-5-2-6-17-46)70-65(44-53)51-36-39-54(40-37-51)71-66-26-9-7-18-59(66)63-42-52(38-41-67(63)71)55-20-11-22-57-56(55)21-12-23-58(57)61-24-13-25-62-60-19-8-10-27-68(60)72-69(61)62;1-3-13-45(14-4-1)47-25-27-49(28-26-47)54-43-64(50-31-29-48(30-32-50)46-15-5-2-6-16-46)70-65(44-54)51-33-37-55(38-34-51)71-66-23-9-7-17-60(66)62-41-52(35-39-67(62)71)56-19-11-22-59-57(20-12-21-58(56)59)53-36-40-69-63(42-53)61-18-8-10-24-68(61)72-69;1-3-13-35(14-4-1)41-33-48(36-15-5-2-6-16-36)54-49(34-41)37-25-28-42(29-26-37)55-50-23-9-7-19-44(50)47-32-39(27-30-51(47)55)38-17-11-18-40(31-38)43-21-12-22-46-45-20-8-10-24-52(45)56-53(43)46/h2*1-44H;1-34H.
What are the key properties of 9-[4-[4,6-bis(4-phenylphenyl)-2-pyridinyl]phenyl]-3-(5-dibenzothiophen-2-ylnaphthalen-1-yl)carbazole;9-[4-[4,6-bis(4-phenylphenyl)-2-pyridinyl]phenyl]-3-(5-dibenzothiophen-4-ylnaphthalen-1-yl)carbazole;3-(3-dibenzofuran-4-ylphenyl)-9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazole?
9-[4-[4,6-bis(4-phenylphenyl)-2-pyridinyl]phenyl]-3-(5-dibenzothiophen-2-ylnaphthalen-1-yl)carbazole;9-[4-[4,6-bis(4-phenylphenyl)-2-pyridinyl]phenyl]-3-(5-dibenzothiophen-4-ylnaphthalen-1-yl)carbazole;3-(3-dibenzofuran-4-ylphenyl)-9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazole has a molecular weight of 2581.25 g/mol, XLogP of 53.15, 22 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4,6-bis(4-phenylphenyl)-2-pyridinyl]phenyl]-3-(5-dibenzothiophen-2-ylnaphthalen-1-yl)carbazole;9-[4-[4,6-bis(4-phenylphenyl)-2-pyridinyl]phenyl]-3-(5-dibenzothiophen-4-ylnaphthalen-1-yl)carbazole;3-(3-dibenzofuran-4-ylphenyl)-9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazole is sourced from PubChem (CID 157098394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).