3-[8-(3-carbazol-9-ylphenyl)dibenzofuran-2-yl]-9-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]carbazole;5-[3-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole

C110H76N6O3 — CID 91484456

IUPAC3-[8-(3-carbazol-9-ylphenyl)dibenzofuran-2-yl]-9-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]carbazole;5-[3-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole
SMILESCOc1c(-c2ccccc2)cc(C)cc1-c1ccc(-c2cc(-n3c4ccccc4c4ncccc43)cc(-n3c4ccccc4c4ncccc43)c2)cc1.COc1c(-c2ccccc2)cc(C)cc1-c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccc(-c7cccc(-n8c9ccccc9c9ccccc98)c7)cc6c5c4)ccc32)cc1
InChIInChI=1S/C62H42N2O2.C48H34N4O/c1-39-33-51(40-13-4-3-5-14-40)62(65-2)52(34-39)41-23-28-46(29-24-41)63-58-22-11-8-19-50(58)53-36-43(25-30-59(53)63)45-27-32-61-55(38-45)54-37-44(26-31-60(54)66-61)42-15-12-16-47(35-42)64-56-20-9-6-17-48(56)49-18-7-10-21-57(49)64;1-31-26-40(33-12-4-3-5-13-33)48(53-2)41(27-31)34-22-20-32(21-23-34)35-28-36(51-42-16-8-6-14-38(42)46-44(51)18-10-24-49-46)30-37(29-35)52-43-17-9-7-15-39(43)47-45(52)19-11-25-50-47/h3-38H,1-2H3;3-30H,1-2H3
InChIKeyAHVAHVAHFUXYDN-UHFFFAOYSA-N
MW1529.86 g/mol
LogP28.75
Rot. Bonds13

About 3-[8-(3-carbazol-9-ylphenyl)dibenzofuran-2-yl]-9-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]carbazole;5-[3-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole

3-[8-(3-carbazol-9-ylphenyl)dibenzofuran-2-yl]-9-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]carbazole;5-[3-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole (PubChem CID 91484456) has the molecular formula C110H76N6O3 and a molecular weight of 1529.86 g/mol. Its IUPAC name is 3-[8-(3-carbazol-9-ylphenyl)dibenzofuran-2-yl]-9-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]carbazole;5-[3-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole.

Molecular Properties

Compound Name3-[8-(3-carbazol-9-ylphenyl)dibenzofuran-2-yl]-9-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]carbazole;5-[3-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole
PubChem CID91484456
Molecular FormulaC110H76N6O3
Molecular Weight1529.86 g/mol
Exact Mass1528.60
IUPAC Name3-[8-(3-carbazol-9-ylphenyl)dibenzofuran-2-yl]-9-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]carbazole;5-[3-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole
SMILESCOc1c(-c2ccccc2)cc(C)cc1-c1ccc(-c2cc(-n3c4ccccc4c4ncccc43)cc(-n3c4ccccc4c4ncccc43)c2)cc1.COc1c(-c2ccccc2)cc(C)cc1-c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccc(-c7cccc(-n8c9ccccc9c9ccccc98)c7)cc6c5c4)ccc32)cc1
InChIInChI=1S/C62H42N2O2.C48H34N4O/c1-39-33-51(40-13-4-3-5-14-40)62(65-2)52(34-39)41-23-28-46(29-24-41)63-58-22-11-8-19-50(58)53-36-43(25-30-59(53)63)45-27-32-61-55(38-45)54-37-44(26-31-60(54)66-61)42-15-12-16-47(35-42)64-56-20-9-6-17-48(56)49-18-7-10-21-57(49)64;1-31-26-40(33-12-4-3-5-13-33)48(53-2)41(27-31)34-22-20-32(21-23-34)35-28-36(51-42-16-8-6-14-38(42)46-44(51)18-10-24-49-46)30-37(29-35)52-43-17-9-7-15-39(43)47-45(52)19-11-25-50-47/h3-38H,1-2H3;3-30H,1-2H3
InChIKeyAHVAHVAHFUXYDN-UHFFFAOYSA-N
XLogP28.75
TPSA77.10 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms119
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001529.86
LogP ≤ 528.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-[8-(3-carbazol-9-ylphenyl)dibenzofuran-2-yl]-9-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]carbazole;5-[3-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole with MolForge

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Related Compounds

2-[3,5-Di(dibenzofuran-2-yl)phenyl]-5,6-difluoro-1,10-phenanthroline
CID 90049930
2-[3,5-Di(dibenzofuran-4-yl)phenyl]-5,6-difluoro-1,10-phenanthroline
CID 90049931
3,8-Di(dibenzofuran-2-yl)-5,6-difluoro-1,10-phenanthroline
CID 121460995
2,6-Bis(3-dibenzofuran-2-ylcarbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile
CID 134295574
3-dibenzofuran-2-yl-8-[8-[4-(8-dibenzofuran-4-yl-5,6-difluoro-10-methyl-9H-1,10-phenanthrolin-3-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]-5,6-difluoro-1,10-phenanthroline
CID 134445878
3-Dibenzofuran-2-yl-9-[2,4,5-tris(3-dibenzofuran-2-ylcarbazol-9-yl)-3-fluorophenyl]carbazole
CID 138715433
3-Dibenzofuran-2-yl-9-[2,4,5-tris(3-dibenzofuran-2-ylcarbazol-9-yl)-3,6-difluorophenyl]carbazole
CID 138715439
2-[(Z)-2-fluoroethenyl]-1-phenyl-5-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]indol-3-amine
CID 144491267
19-[(Z)-2-fluoroethenyl]-9-(3-phenylcyclohexa-1,5-dien-1-yl)-18-(3-pyridin-2-ylphenyl)-23-oxa-4,9,18-triazahexacyclo[11.10.0.02,10.03,8.014,22.017,21]tricosa-1(13),2(10),3(8),4,6,11,14(22),15,17(21),19-decaen-20-amine
CID 144604492
5-Dibenzofuran-2-yl-8-[8-(2,4-difluoro-6-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]pyrido[3,2-b]indole
CID 144612634
9-[8-[9-(5-Carbazol-9-yl-3-pyridinyl)carbazol-3-yl]dibenzofuran-2-yl]-1,2,3,4-tetrafluorocarbazole
CID 145703005
9-[8-[9-(5-Carbazol-9-yl-3-pyridinyl)carbazol-3-yl]dibenzofuran-2-yl]-3,6-bis(trifluoromethyl)carbazole
CID 145703027

Frequently Asked Questions

What is the IUPAC name of 3-[8-(3-carbazol-9-ylphenyl)dibenzofuran-2-yl]-9-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]carbazole;5-[3-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole?
The IUPAC name of 3-[8-(3-carbazol-9-ylphenyl)dibenzofuran-2-yl]-9-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]carbazole;5-[3-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole (CID 91484456) is 3-[8-(3-carbazol-9-ylphenyl)dibenzofuran-2-yl]-9-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]carbazole;5-[3-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole.
What is the SMILES notation for 3-[8-(3-carbazol-9-ylphenyl)dibenzofuran-2-yl]-9-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]carbazole;5-[3-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole?
The canonical SMILES for 3-[8-(3-carbazol-9-ylphenyl)dibenzofuran-2-yl]-9-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]carbazole;5-[3-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole is COc1c(-c2ccccc2)cc(C)cc1-c1ccc(-c2cc(-n3c4ccccc4c4ncccc43)cc(-n3c4ccccc4c4ncccc43)c2)cc1.COc1c(-c2ccccc2)cc(C)cc1-c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccc(-c7cccc(-n8c9ccccc9c9ccccc98)c7)cc6c5c4)ccc32)cc1.
What is the InChIKey of 3-[8-(3-carbazol-9-ylphenyl)dibenzofuran-2-yl]-9-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]carbazole;5-[3-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole?
The InChIKey is AHVAHVAHFUXYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H42N2O2.C48H34N4O/c1-39-33-51(40-13-4-3-5-14-40)62(65-2)52(34-39)41-23-28-46(29-24-41)63-58-22-11-8-19-50(58)53-36-43(25-30-59(53)63)45-27-32-61-55(38-45)54-37-44(26-31-60(54)66-61)42-15-12-16-47(35-42)64-56-20-9-6-17-48(56)49-18-7-10-21-57(49)64;1-31-26-40(33-12-4-3-5-13-33)48(53-2)41(27-31)34-22-20-32(21-23-34)35-28-36(51-42-16-8-6-14-38(42)46-44(51)18-10-24-49-46)30-37(29-35)52-43-17-9-7-15-39(43)47-45(52)19-11-25-50-47/h3-38H,1-2H3;3-30H,1-2H3.
What are the key properties of 3-[8-(3-carbazol-9-ylphenyl)dibenzofuran-2-yl]-9-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]carbazole;5-[3-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole?
3-[8-(3-carbazol-9-ylphenyl)dibenzofuran-2-yl]-9-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]carbazole;5-[3-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole has a molecular weight of 1529.86 g/mol, XLogP of 28.75, 13 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-(3-carbazol-9-ylphenyl)dibenzofuran-2-yl]-9-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]carbazole;5-[3-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole is sourced from PubChem (CID 91484456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).