3-(4-ethenylphenyl)-9-[8-[3-(4-ethenylphenyl)-6-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-6-(2-pyridin-2-ylphenyl)carbazole

C74H48N4O — CID 88853124

IUPAC3-(4-ethenylphenyl)-9-[8-[3-(4-ethenylphenyl)-6-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-6-(2-pyridin-2-ylphenyl)carbazole
SMILESC=Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4-c4ccccn4)ccc2n3-c2ccc3oc4ccc(-n5c6ccc(-c7ccc(C=C)cc7)cc6c6cc(-c7ccccc7-c7ccccn7)ccc65)cc4c3c2)cc1
InChIInChI=1S/C74H48N4O/c1-3-47-19-23-49(24-20-47)51-27-33-69-61(41-51)63-43-53(57-13-5-7-15-59(57)67-17-9-11-39-75-67)29-35-71(63)77(69)55-31-37-73-65(45-55)66-46-56(32-38-74(66)79-73)78-70-34-28-52(50-25-21-48(4-2)22-26-50)42-62(70)64-44-54(30-36-72(64)78)58-14-6-8-16-60(58)68-18-10-12-40-76-68/h3-46H,1-2H2
InChIKeyYSRAPYJKHOZDJK-UHFFFAOYSA-N
MW1009.22 g/mol
LogP19.86
Rot. Bonds10

About 3-(4-ethenylphenyl)-9-[8-[3-(4-ethenylphenyl)-6-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-6-(2-pyridin-2-ylphenyl)carbazole

3-(4-ethenylphenyl)-9-[8-[3-(4-ethenylphenyl)-6-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-6-(2-pyridin-2-ylphenyl)carbazole (PubChem CID 88853124) has the molecular formula C74H48N4O and a molecular weight of 1009.22 g/mol. Its IUPAC name is 3-(4-ethenylphenyl)-9-[8-[3-(4-ethenylphenyl)-6-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-6-(2-pyridin-2-ylphenyl)carbazole.

Molecular Properties

Compound Name3-(4-ethenylphenyl)-9-[8-[3-(4-ethenylphenyl)-6-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-6-(2-pyridin-2-ylphenyl)carbazole
PubChem CID88853124
Molecular FormulaC74H48N4O
Molecular Weight1009.22 g/mol
Exact Mass1008.38
IUPAC Name3-(4-ethenylphenyl)-9-[8-[3-(4-ethenylphenyl)-6-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-6-(2-pyridin-2-ylphenyl)carbazole
SMILESC=Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4-c4ccccn4)ccc2n3-c2ccc3oc4ccc(-n5c6ccc(-c7ccc(C=C)cc7)cc6c6cc(-c7ccccc7-c7ccccn7)ccc65)cc4c3c2)cc1
InChIInChI=1S/C74H48N4O/c1-3-47-19-23-49(24-20-47)51-27-33-69-61(41-51)63-43-53(57-13-5-7-15-59(57)67-17-9-11-39-75-67)29-35-71(63)77(69)55-31-37-73-65(45-55)66-46-56(32-38-74(66)79-73)78-70-34-28-52(50-25-21-48(4-2)22-26-50)42-62(70)64-44-54(30-36-72(64)78)58-14-6-8-16-60(58)68-18-10-12-40-76-68/h3-46H,1-2H2
InChIKeyYSRAPYJKHOZDJK-UHFFFAOYSA-N
XLogP19.86
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001009.22
LogP ≤ 519.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-(7,8-dipyridin-2-yldibenzofuran-2-yl)-3,6-bis(2-pyridin-2-ylphenyl)carbazole;methanamine;pyridine
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3-(2-pyridin-2-ylphenyl)-9-[7-[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-3-yl]carbazole
CID 123136164
5-(8-iododibenzofuran-2-yl)-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole
CID 67094853
3-(8-carbazol-9-yldibenzofuran-2-yl)-9-[8-[3-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-9-yl]dibenzofuran-2-yl]carbazole;3-(8-carbazol-9-yldibenzofuran-2-yl)-9-[2-(3-phenyl-2-pyridinyl)phenyl]carbazole;9-[8-(3,6-dipyridin-2-ylcarbazol-9-yl)dibenzofuran-2-yl]-3,6-dipyridin-2-ylcarbazole;9-phenyl-3,6-bis(3-phenylcarbazol-9-yl)carbazole
CID 161188676
9-[8-(3-isocyanocarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile;3-(2-pyridin-2-ylphenyl)-9-[3-[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]phenyl]carbazole
CID 159338990
5,11-diphenylindolo[3,2-b]carbazole;9-phenyl-3-[16-(9-phenylcarbazol-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl]carbazole;8-(2-pyridin-2-ylphenyl)-5-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[3,2-b]indole;9,18,27-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaene;9,18,27-triphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 165079740
5-[3-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]phenyl]-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole;ethene
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3-dibenzofuran-4-yl-9-[4-[8-(3-dibenzofuran-4-ylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 121449462
3-(4-carbazol-9-yl-2-dibenzofuran-2-yl-5-pyridin-2-ylphenyl)-9-phenylcarbazole
CID 71278022
5-dibenzofuran-2-yl-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole;5-dibenzothiophen-2-yl-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole;5-phenylpyrido[3,2-b]indole;8-(2-pyridin-2-ylphenyl)-5-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[3,2-b]indole;8-(2-pyridin-2-ylphenyl)-5-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzothiophen-2-yl]pyrido[3,2-b]indole;8-(2-pyridin-2-ylphenyl)-5-[3-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]phenyl]pyrido[3,2-b]indole;5-(3-pyrido[3,2-b]indol-5-ylphenyl)pyrido[3,2-b]indole
CID 157173487
8-ethenyl-5-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)pyrido[3,2-b]indole
CID 59307384
5-[3-methyl-2-[(1Z)-3-(5-phenylpyrido[3,2-b]indol-8-yl)buta-1,3-dienyl]-1-benzofuran-5-yl]-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole
CID 146542263

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethenylphenyl)-9-[8-[3-(4-ethenylphenyl)-6-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-6-(2-pyridin-2-ylphenyl)carbazole?
The IUPAC name of 3-(4-ethenylphenyl)-9-[8-[3-(4-ethenylphenyl)-6-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-6-(2-pyridin-2-ylphenyl)carbazole (CID 88853124) is 3-(4-ethenylphenyl)-9-[8-[3-(4-ethenylphenyl)-6-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-6-(2-pyridin-2-ylphenyl)carbazole.
What is the SMILES notation for 3-(4-ethenylphenyl)-9-[8-[3-(4-ethenylphenyl)-6-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-6-(2-pyridin-2-ylphenyl)carbazole?
The canonical SMILES for 3-(4-ethenylphenyl)-9-[8-[3-(4-ethenylphenyl)-6-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-6-(2-pyridin-2-ylphenyl)carbazole is C=Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4-c4ccccn4)ccc2n3-c2ccc3oc4ccc(-n5c6ccc(-c7ccc(C=C)cc7)cc6c6cc(-c7ccccc7-c7ccccn7)ccc65)cc4c3c2)cc1.
What is the InChIKey of 3-(4-ethenylphenyl)-9-[8-[3-(4-ethenylphenyl)-6-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-6-(2-pyridin-2-ylphenyl)carbazole?
The InChIKey is YSRAPYJKHOZDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H48N4O/c1-3-47-19-23-49(24-20-47)51-27-33-69-61(41-51)63-43-53(57-13-5-7-15-59(57)67-17-9-11-39-75-67)29-35-71(63)77(69)55-31-37-73-65(45-55)66-46-56(32-38-74(66)79-73)78-70-34-28-52(50-25-21-48(4-2)22-26-50)42-62(70)64-44-54(30-36-72(64)78)58-14-6-8-16-60(58)68-18-10-12-40-76-68/h3-46H,1-2H2.
What are the key properties of 3-(4-ethenylphenyl)-9-[8-[3-(4-ethenylphenyl)-6-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-6-(2-pyridin-2-ylphenyl)carbazole?
3-(4-ethenylphenyl)-9-[8-[3-(4-ethenylphenyl)-6-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-6-(2-pyridin-2-ylphenyl)carbazole has a molecular weight of 1009.22 g/mol, XLogP of 19.86, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethenylphenyl)-9-[8-[3-(4-ethenylphenyl)-6-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-6-(2-pyridin-2-ylphenyl)carbazole is sourced from PubChem (CID 88853124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).