9-[8-[3,6-di(pyrazin-2-yl)carbazol-9-yl]dibenzofuran-2-yl]-3,6-di(pyrazin-2-yl)carbazole

C52H30N10O — CID 163813284

IUPAC9-[8-[3,6-di(pyrazin-2-yl)carbazol-9-yl]dibenzofuran-2-yl]-3,6-di(pyrazin-2-yl)carbazole
SMILESc1cnc(-c2ccc3c(c2)c2cc(-c4cnccn4)ccc2n3-c2ccc3oc4ccc(-n5c6ccc(-c7cnccn7)cc6c6cc(-c7cnccn7)ccc65)cc4c3c2)cn1
InChIInChI=1S/C52H30N10O/c1-7-47-37(21-31(1)43-27-53-13-17-57-43)38-22-32(44-28-54-14-18-58-44)2-8-48(38)61(47)35-5-11-51-41(25-35)42-26-36(6-12-52(42)63-51)62-49-9-3-33(45-29-55-15-19-59-45)23-39(49)40-24-34(4-10-50(40)62)46-30-56-16-20-60-46/h1-30H
InChIKeyNPDPSWAWOWBKAZ-UHFFFAOYSA-N
MW810.88 g/mol
LogP11.61
Rot. Bonds6

About 9-[8-[3,6-di(pyrazin-2-yl)carbazol-9-yl]dibenzofuran-2-yl]-3,6-di(pyrazin-2-yl)carbazole

9-[8-[3,6-di(pyrazin-2-yl)carbazol-9-yl]dibenzofuran-2-yl]-3,6-di(pyrazin-2-yl)carbazole (PubChem CID 163813284) has the molecular formula C52H30N10O and a molecular weight of 810.88 g/mol. Its IUPAC name is 9-[8-[3,6-di(pyrazin-2-yl)carbazol-9-yl]dibenzofuran-2-yl]-3,6-di(pyrazin-2-yl)carbazole.

Molecular Properties

Compound Name9-[8-[3,6-di(pyrazin-2-yl)carbazol-9-yl]dibenzofuran-2-yl]-3,6-di(pyrazin-2-yl)carbazole
PubChem CID163813284
Molecular FormulaC52H30N10O
Molecular Weight810.88 g/mol
Exact Mass810.26
IUPAC Name9-[8-[3,6-di(pyrazin-2-yl)carbazol-9-yl]dibenzofuran-2-yl]-3,6-di(pyrazin-2-yl)carbazole
SMILESc1cnc(-c2ccc3c(c2)c2cc(-c4cnccn4)ccc2n3-c2ccc3oc4ccc(-n5c6ccc(-c7cnccn7)cc6c6cc(-c7cnccn7)ccc65)cc4c3c2)cn1
InChIInChI=1S/C52H30N10O/c1-7-47-37(21-31(1)43-27-53-13-17-57-43)38-22-32(44-28-54-14-18-58-44)2-8-48(38)61(47)35-5-11-51-41(25-35)42-26-36(6-12-52(42)63-51)62-49-9-3-33(45-29-55-15-19-59-45)23-39(49)40-24-34(4-10-50(40)62)46-30-56-16-20-60-46/h1-30H
InChIKeyNPDPSWAWOWBKAZ-UHFFFAOYSA-N
XLogP11.61
TPSA126.12 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500810.88
LogP ≤ 511.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Related Compounds

3-pyridin-3-yl-9-(8-pyridin-3-yldibenzofuran-2-yl)carbazole
CID 163439035
9-(7,8-dipyridin-2-yldibenzofuran-2-yl)-3,6-bis(2-pyridin-2-ylphenyl)carbazole;methanamine;pyridine
CID 144536431
9-[8-[3-(8-pyrido[3,4-b]indol-9-yldibenzofuran-2-yl)phenyl]dibenzofuran-2-yl]pyrido[3,4-b]indole
CID 58038552
2-(9-dibenzofuran-2-yl-6-pyridin-2-ylcarbazol-3-yl)benzene-1,3-dicarbonitrile
CID 155357773
3-(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 59348276
9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole
CID 59348295
9-[8-(6-dibenzofuran-2-yl-2-pyridinyl)dibenzofuran-2-yl]carbazole
CID 89433742
9-[3-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]phenyl]-3,6-diphenylcarbazole
CID 89433885
5-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]pyrido[4,3-b]indole
CID 89433740
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
3,6-diphenyl-9-(18-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)carbazole
CID 59147259
9-dibenzofuran-2-yl-3-phenyl-6-(3-phenylphenyl)carbazole
CID 118488369

Frequently Asked Questions

What is the IUPAC name of 9-[8-[3,6-di(pyrazin-2-yl)carbazol-9-yl]dibenzofuran-2-yl]-3,6-di(pyrazin-2-yl)carbazole?
The IUPAC name of 9-[8-[3,6-di(pyrazin-2-yl)carbazol-9-yl]dibenzofuran-2-yl]-3,6-di(pyrazin-2-yl)carbazole (CID 163813284) is 9-[8-[3,6-di(pyrazin-2-yl)carbazol-9-yl]dibenzofuran-2-yl]-3,6-di(pyrazin-2-yl)carbazole.
What is the SMILES notation for 9-[8-[3,6-di(pyrazin-2-yl)carbazol-9-yl]dibenzofuran-2-yl]-3,6-di(pyrazin-2-yl)carbazole?
The canonical SMILES for 9-[8-[3,6-di(pyrazin-2-yl)carbazol-9-yl]dibenzofuran-2-yl]-3,6-di(pyrazin-2-yl)carbazole is c1cnc(-c2ccc3c(c2)c2cc(-c4cnccn4)ccc2n3-c2ccc3oc4ccc(-n5c6ccc(-c7cnccn7)cc6c6cc(-c7cnccn7)ccc65)cc4c3c2)cn1.
What is the InChIKey of 9-[8-[3,6-di(pyrazin-2-yl)carbazol-9-yl]dibenzofuran-2-yl]-3,6-di(pyrazin-2-yl)carbazole?
The InChIKey is NPDPSWAWOWBKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30N10O/c1-7-47-37(21-31(1)43-27-53-13-17-57-43)38-22-32(44-28-54-14-18-58-44)2-8-48(38)61(47)35-5-11-51-41(25-35)42-26-36(6-12-52(42)63-51)62-49-9-3-33(45-29-55-15-19-59-45)23-39(49)40-24-34(4-10-50(40)62)46-30-56-16-20-60-46/h1-30H.
What are the key properties of 9-[8-[3,6-di(pyrazin-2-yl)carbazol-9-yl]dibenzofuran-2-yl]-3,6-di(pyrazin-2-yl)carbazole?
9-[8-[3,6-di(pyrazin-2-yl)carbazol-9-yl]dibenzofuran-2-yl]-3,6-di(pyrazin-2-yl)carbazole has a molecular weight of 810.88 g/mol, XLogP of 11.61, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[8-[3,6-di(pyrazin-2-yl)carbazol-9-yl]dibenzofuran-2-yl]-3,6-di(pyrazin-2-yl)carbazole is sourced from PubChem (CID 163813284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).