3,6-bis(6-tert-butyl-9-phenylcarbazol-3-yl)-9-dibenzofuran-2-ylcarbazole;3,6-bis(9-phenylcarbazol-3-yl)-9-[3-(1-phenylindol-3-yl)phenyl]carbazole;3-[9-dibenzofuran-2-yl-6-(6-methyl-9-phenylcarbazol-3-yl)carbazol-3-yl]-6-methyl-9-phenylcarbazole

C198H138N10O2 — CID 157252829

IUPAC3,6-bis(6-tert-butyl-9-phenylcarbazol-3-yl)-9-dibenzofuran-2-ylcarbazole;3,6-bis(9-phenylcarbazol-3-yl)-9-[3-(1-phenylindol-3-yl)phenyl]carbazole;3-[9-dibenzofuran-2-yl-6-(6-methyl-9-phenylcarbazol-3-yl)carbazol-3-yl]-6-methyl-9-phenylcarbazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)c5cc(C(C)(C)C)ccc5n6-c5ccccc5)ccc3n4-c3ccc4oc5ccccc5c4c3)ccc1n2-c1ccccc1.Cc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)c5cc(C)ccc5n6-c5ccccc5)ccc3n4-c3ccc4oc5ccccc5c4c3)ccc1n2-c1ccccc1.c1ccc(-n2cc(-c3cccc(-n4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)c3ccccc32)cc1
InChIInChI=1S/C68H44N4.C68H53N3O.C62H41N3O/c1-4-18-50(19-5-1)69-44-61(56-27-10-13-28-62(56)69)49-17-16-24-53(39-49)72-67-37-33-47(45-31-35-65-57(40-45)54-25-11-14-29-63(54)70(65)51-20-6-2-7-21-51)42-59(67)60-43-48(34-38-68(60)72)46-32-36-66-58(41-46)55-26-12-15-30-64(55)71(66)52-22-8-3-9-23-52;1-67(2,3)46-25-32-63-56(39-46)54-37-44(21-28-59(54)69(63)48-15-9-7-10-16-48)42-23-30-61-52(35-42)53-36-43(24-31-62(53)71(61)50-27-34-66-58(41-50)51-19-13-14-20-65(51)72-66)45-22-29-60-55(38-45)57-40-47(68(4,5)6)26-33-64(57)70(60)49-17-11-8-12-18-49;1-38-17-24-55-48(31-38)50-33-40(19-26-57(50)63(55)44-11-5-3-6-12-44)42-21-28-59-52(35-42)53-36-43(22-29-60(53)65(59)46-23-30-62-54(37-46)47-15-9-10-16-61(47)66-62)41-20-27-58-51(34-41)49-32-39(2)18-25-56(49)64(58)45-13-7-4-8-14-45/h1-44H;7-41H,1-6H3;3-37H,1-2H3
InChIKeyAWNNSWNFVMPBHL-UHFFFAOYSA-N
MW2689.35 g/mol
LogP53.56
Rot. Bonds17

About 3,6-bis(6-tert-butyl-9-phenylcarbazol-3-yl)-9-dibenzofuran-2-ylcarbazole;3,6-bis(9-phenylcarbazol-3-yl)-9-[3-(1-phenylindol-3-yl)phenyl]carbazole;3-[9-dibenzofuran-2-yl-6-(6-methyl-9-phenylcarbazol-3-yl)carbazol-3-yl]-6-methyl-9-phenylcarbazole

3,6-bis(6-tert-butyl-9-phenylcarbazol-3-yl)-9-dibenzofuran-2-ylcarbazole;3,6-bis(9-phenylcarbazol-3-yl)-9-[3-(1-phenylindol-3-yl)phenyl]carbazole;3-[9-dibenzofuran-2-yl-6-(6-methyl-9-phenylcarbazol-3-yl)carbazol-3-yl]-6-methyl-9-phenylcarbazole (PubChem CID 157252829) has the molecular formula C198H138N10O2 and a molecular weight of 2689.35 g/mol. Its IUPAC name is 3,6-bis(6-tert-butyl-9-phenylcarbazol-3-yl)-9-dibenzofuran-2-ylcarbazole;3,6-bis(9-phenylcarbazol-3-yl)-9-[3-(1-phenylindol-3-yl)phenyl]carbazole;3-[9-dibenzofuran-2-yl-6-(6-methyl-9-phenylcarbazol-3-yl)carbazol-3-yl]-6-methyl-9-phenylcarbazole.

Molecular Properties

Compound Name3,6-bis(6-tert-butyl-9-phenylcarbazol-3-yl)-9-dibenzofuran-2-ylcarbazole;3,6-bis(9-phenylcarbazol-3-yl)-9-[3-(1-phenylindol-3-yl)phenyl]carbazole;3-[9-dibenzofuran-2-yl-6-(6-methyl-9-phenylcarbazol-3-yl)carbazol-3-yl]-6-methyl-9-phenylcarbazole
PubChem CID157252829
Molecular FormulaC198H138N10O2
Molecular Weight2689.35 g/mol
Exact Mass2687.10
IUPAC Name3,6-bis(6-tert-butyl-9-phenylcarbazol-3-yl)-9-dibenzofuran-2-ylcarbazole;3,6-bis(9-phenylcarbazol-3-yl)-9-[3-(1-phenylindol-3-yl)phenyl]carbazole;3-[9-dibenzofuran-2-yl-6-(6-methyl-9-phenylcarbazol-3-yl)carbazol-3-yl]-6-methyl-9-phenylcarbazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)c5cc(C(C)(C)C)ccc5n6-c5ccccc5)ccc3n4-c3ccc4oc5ccccc5c4c3)ccc1n2-c1ccccc1.Cc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)c5cc(C)ccc5n6-c5ccccc5)ccc3n4-c3ccc4oc5ccccc5c4c3)ccc1n2-c1ccccc1.c1ccc(-n2cc(-c3cccc(-n4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)c3ccccc32)cc1
InChIInChI=1S/C68H44N4.C68H53N3O.C62H41N3O/c1-4-18-50(19-5-1)69-44-61(56-27-10-13-28-62(56)69)49-17-16-24-53(39-49)72-67-37-33-47(45-31-35-65-57(40-45)54-25-11-14-29-63(54)70(65)51-20-6-2-7-21-51)42-59(67)60-43-48(34-38-68(60)72)46-32-36-66-58(41-46)55-26-12-15-30-64(55)71(66)52-22-8-3-9-23-52;1-67(2,3)46-25-32-63-56(39-46)54-37-44(21-28-59(54)69(63)48-15-9-7-10-16-48)42-23-30-61-52(35-42)53-36-43(24-31-62(53)71(61)50-27-34-66-58(41-50)51-19-13-14-20-65(51)72-66)45-22-29-60-55(38-45)57-40-47(68(4,5)6)26-33-64(57)70(60)49-17-11-8-12-18-49;1-38-17-24-55-48(31-38)50-33-40(19-26-57(50)63(55)44-11-5-3-6-12-44)42-21-28-59-52(35-42)53-36-43(22-29-60(53)65(59)46-23-30-62-54(37-46)47-15-9-10-16-61(47)66-62)41-20-27-58-51(34-41)49-32-39(2)18-25-56(49)64(58)45-13-7-4-8-14-45/h1-44H;7-41H,1-6H3;3-37H,1-2H3
InChIKeyAWNNSWNFVMPBHL-UHFFFAOYSA-N
XLogP53.56
TPSA75.58 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms210
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002689.35
LogP ≤ 553.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 3,6-bis(6-tert-butyl-9-phenylcarbazol-3-yl)-9-dibenzofuran-2-ylcarbazole;3,6-bis(9-phenylcarbazol-3-yl)-9-[3-(1-phenylindol-3-yl)phenyl]carbazole;3-[9-dibenzofuran-2-yl-6-(6-methyl-9-phenylcarbazol-3-yl)carbazol-3-yl]-6-methyl-9-phenylcarbazole with MolForge

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Related Compounds

2,8-Di(9H-carbazol-9-yl)dibenzo[b,d]furan
CID 59348257
2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-(8-methyldibenzofuran-2-yl)-7-N-phenylcarbazole-2,7-diamine
CID 23593191
2-N,9-dimethyl-7-N-(8-methyldibenzofuran-2-yl)-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine
CID 23593276
9-(8-Fluorodibenzofuran-2-yl)-3-[9-(8-fluorodibenzofuran-2-yl)carbazol-3-yl]carbazole
CID 58511053
3-[9-Dibenzofuran-2-yl-6-(6-fluoro-9-phenylcarbazol-3-yl)carbazol-3-yl]-6-fluoro-9-phenylcarbazole
CID 68112373
N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 68230409
7-[3-(N-(8-butan-2-yldibenzofuran-2-yl)anilino)-3-ethyl-2-methylpentan-2-yl]-N-hexan-2-yl-9-methyl-N-[4-(trifluoromethyl)phenyl]carbazol-2-amine
CID 71053995
3,6-Di(carbazol-9-yl)-9-(8-fluorodibenzofuran-2-yl)carbazole
CID 89505208
4-phenyl-N-(4-phenylphenyl)-N-[4-[9-[8-(trifluoromethyl)dibenzofuran-2-yl]carbazol-3-yl]phenyl]aniline
CID 90321207
9-[8-[3-[3-[3-(3,5-Difluorophenyl)phenyl]phenyl]phenyl]dibenzofuran-2-yl]-3-phenylcarbazole
CID 118438830
9-[8-[3-[3-(4-Fluorophenyl)phenyl]phenyl]dibenzofuran-2-yl]-3-phenylcarbazole
CID 118438836
9-(8-Fluorodibenzofuran-2-yl)-3-[3-(3-phenylphenyl)phenyl]carbazole
CID 118488419

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(6-tert-butyl-9-phenylcarbazol-3-yl)-9-dibenzofuran-2-ylcarbazole;3,6-bis(9-phenylcarbazol-3-yl)-9-[3-(1-phenylindol-3-yl)phenyl]carbazole;3-[9-dibenzofuran-2-yl-6-(6-methyl-9-phenylcarbazol-3-yl)carbazol-3-yl]-6-methyl-9-phenylcarbazole?
The IUPAC name of 3,6-bis(6-tert-butyl-9-phenylcarbazol-3-yl)-9-dibenzofuran-2-ylcarbazole;3,6-bis(9-phenylcarbazol-3-yl)-9-[3-(1-phenylindol-3-yl)phenyl]carbazole;3-[9-dibenzofuran-2-yl-6-(6-methyl-9-phenylcarbazol-3-yl)carbazol-3-yl]-6-methyl-9-phenylcarbazole (CID 157252829) is 3,6-bis(6-tert-butyl-9-phenylcarbazol-3-yl)-9-dibenzofuran-2-ylcarbazole;3,6-bis(9-phenylcarbazol-3-yl)-9-[3-(1-phenylindol-3-yl)phenyl]carbazole;3-[9-dibenzofuran-2-yl-6-(6-methyl-9-phenylcarbazol-3-yl)carbazol-3-yl]-6-methyl-9-phenylcarbazole.
What is the SMILES notation for 3,6-bis(6-tert-butyl-9-phenylcarbazol-3-yl)-9-dibenzofuran-2-ylcarbazole;3,6-bis(9-phenylcarbazol-3-yl)-9-[3-(1-phenylindol-3-yl)phenyl]carbazole;3-[9-dibenzofuran-2-yl-6-(6-methyl-9-phenylcarbazol-3-yl)carbazol-3-yl]-6-methyl-9-phenylcarbazole?
The canonical SMILES for 3,6-bis(6-tert-butyl-9-phenylcarbazol-3-yl)-9-dibenzofuran-2-ylcarbazole;3,6-bis(9-phenylcarbazol-3-yl)-9-[3-(1-phenylindol-3-yl)phenyl]carbazole;3-[9-dibenzofuran-2-yl-6-(6-methyl-9-phenylcarbazol-3-yl)carbazol-3-yl]-6-methyl-9-phenylcarbazole is CC(C)(C)c1ccc2c(c1)c1cc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)c5cc(C(C)(C)C)ccc5n6-c5ccccc5)ccc3n4-c3ccc4oc5ccccc5c4c3)ccc1n2-c1ccccc1.Cc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)c5cc(C)ccc5n6-c5ccccc5)ccc3n4-c3ccc4oc5ccccc5c4c3)ccc1n2-c1ccccc1.c1ccc(-n2cc(-c3cccc(-n4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)c3ccccc32)cc1.
What is the InChIKey of 3,6-bis(6-tert-butyl-9-phenylcarbazol-3-yl)-9-dibenzofuran-2-ylcarbazole;3,6-bis(9-phenylcarbazol-3-yl)-9-[3-(1-phenylindol-3-yl)phenyl]carbazole;3-[9-dibenzofuran-2-yl-6-(6-methyl-9-phenylcarbazol-3-yl)carbazol-3-yl]-6-methyl-9-phenylcarbazole?
The InChIKey is AWNNSWNFVMPBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H44N4.C68H53N3O.C62H41N3O/c1-4-18-50(19-5-1)69-44-61(56-27-10-13-28-62(56)69)49-17-16-24-53(39-49)72-67-37-33-47(45-31-35-65-57(40-45)54-25-11-14-29-63(54)70(65)51-20-6-2-7-21-51)42-59(67)60-43-48(34-38-68(60)72)46-32-36-66-58(41-46)55-26-12-15-30-64(55)71(66)52-22-8-3-9-23-52;1-67(2,3)46-25-32-63-56(39-46)54-37-44(21-28-59(54)69(63)48-15-9-7-10-16-48)42-23-30-61-52(35-42)53-36-43(24-31-62(53)71(61)50-27-34-66-58(41-50)51-19-13-14-20-65(51)72-66)45-22-29-60-55(38-45)57-40-47(68(4,5)6)26-33-64(57)70(60)49-17-11-8-12-18-49;1-38-17-24-55-48(31-38)50-33-40(19-26-57(50)63(55)44-11-5-3-6-12-44)42-21-28-59-52(35-42)53-36-43(22-29-60(53)65(59)46-23-30-62-54(37-46)47-15-9-10-16-61(47)66-62)41-20-27-58-51(34-41)49-32-39(2)18-25-56(49)64(58)45-13-7-4-8-14-45/h1-44H;7-41H,1-6H3;3-37H,1-2H3.
What are the key properties of 3,6-bis(6-tert-butyl-9-phenylcarbazol-3-yl)-9-dibenzofuran-2-ylcarbazole;3,6-bis(9-phenylcarbazol-3-yl)-9-[3-(1-phenylindol-3-yl)phenyl]carbazole;3-[9-dibenzofuran-2-yl-6-(6-methyl-9-phenylcarbazol-3-yl)carbazol-3-yl]-6-methyl-9-phenylcarbazole?
3,6-bis(6-tert-butyl-9-phenylcarbazol-3-yl)-9-dibenzofuran-2-ylcarbazole;3,6-bis(9-phenylcarbazol-3-yl)-9-[3-(1-phenylindol-3-yl)phenyl]carbazole;3-[9-dibenzofuran-2-yl-6-(6-methyl-9-phenylcarbazol-3-yl)carbazol-3-yl]-6-methyl-9-phenylcarbazole has a molecular weight of 2689.35 g/mol, XLogP of 53.56, 17 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(6-tert-butyl-9-phenylcarbazol-3-yl)-9-dibenzofuran-2-ylcarbazole;3,6-bis(9-phenylcarbazol-3-yl)-9-[3-(1-phenylindol-3-yl)phenyl]carbazole;3-[9-dibenzofuran-2-yl-6-(6-methyl-9-phenylcarbazol-3-yl)carbazol-3-yl]-6-methyl-9-phenylcarbazole is sourced from PubChem (CID 157252829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).