9-[8-[3,6-bis(6-phenyl-2-pyridinyl)-3,4-dihydrocarbazol-9-yl]dibenzofuran-2-yl]-3,6-bis(6-phenyl-2-pyridinyl)carbazole

C80H52N6O — CID 163450848

IUPAC9-[8-[3,6-bis(6-phenyl-2-pyridinyl)-3,4-dihydrocarbazol-9-yl]dibenzofuran-2-yl]-3,6-bis(6-phenyl-2-pyridinyl)carbazole
SMILESC1=CC(c2cccc(-c3ccccc3)n2)Cc2c1n(-c1ccc3oc4ccc(-n5c6ccc(-c7cccc(-c8ccccc8)n7)cc6c6cc(-c7cccc(-c8ccccc8)n7)ccc65)cc4c3c1)c1ccc(-c3cccc(-c4ccccc4)n3)cc21
InChIInChI=1S/C80H52N6O/c1-5-17-51(18-6-1)67-25-13-29-71(81-67)55-33-39-75-61(45-55)62-46-56(72-30-14-26-68(82-72)52-19-7-2-8-20-52)34-40-76(62)85(75)59-37-43-79-65(49-59)66-50-60(38-44-80(66)87-79)86-77-41-35-57(73-31-15-27-69(83-73)53-21-9-3-10-22-53)47-63(77)64-48-58(36-42-78(64)86)74-32-16-28-70(84-74)54-23-11-4-12-24-54/h1-47,49-50,58H,48H2
InChIKeyBGMAGFTXFVAFDE-UHFFFAOYSA-N
MW1113.34 g/mol
LogP20.23
Rot. Bonds10

About 9-[8-[3,6-bis(6-phenyl-2-pyridinyl)-3,4-dihydrocarbazol-9-yl]dibenzofuran-2-yl]-3,6-bis(6-phenyl-2-pyridinyl)carbazole

9-[8-[3,6-bis(6-phenyl-2-pyridinyl)-3,4-dihydrocarbazol-9-yl]dibenzofuran-2-yl]-3,6-bis(6-phenyl-2-pyridinyl)carbazole (PubChem CID 163450848) has the molecular formula C80H52N6O and a molecular weight of 1113.34 g/mol. Its IUPAC name is 9-[8-[3,6-bis(6-phenyl-2-pyridinyl)-3,4-dihydrocarbazol-9-yl]dibenzofuran-2-yl]-3,6-bis(6-phenyl-2-pyridinyl)carbazole.

Molecular Properties

Compound Name9-[8-[3,6-bis(6-phenyl-2-pyridinyl)-3,4-dihydrocarbazol-9-yl]dibenzofuran-2-yl]-3,6-bis(6-phenyl-2-pyridinyl)carbazole
PubChem CID163450848
Molecular FormulaC80H52N6O
Molecular Weight1113.34 g/mol
Exact Mass1112.42
IUPAC Name9-[8-[3,6-bis(6-phenyl-2-pyridinyl)-3,4-dihydrocarbazol-9-yl]dibenzofuran-2-yl]-3,6-bis(6-phenyl-2-pyridinyl)carbazole
SMILESC1=CC(c2cccc(-c3ccccc3)n2)Cc2c1n(-c1ccc3oc4ccc(-n5c6ccc(-c7cccc(-c8ccccc8)n7)cc6c6cc(-c7cccc(-c8ccccc8)n7)ccc65)cc4c3c1)c1ccc(-c3cccc(-c4ccccc4)n3)cc21
InChIInChI=1S/C80H52N6O/c1-5-17-51(18-6-1)67-25-13-29-71(81-67)55-33-39-75-61(45-55)62-46-56(72-30-14-26-68(82-72)52-19-7-2-8-20-52)34-40-76(62)85(75)59-37-43-79-65(49-59)66-50-60(38-44-80(66)87-79)86-77-41-35-57(73-31-15-27-69(83-73)53-21-9-3-10-22-53)47-63(77)64-48-58(36-42-78(64)86)74-32-16-28-70(84-74)54-23-11-4-12-24-54/h1-47,49-50,58H,48H2
InChIKeyBGMAGFTXFVAFDE-UHFFFAOYSA-N
XLogP20.23
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001113.34
LogP ≤ 520.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

9-[8-(6-dibenzofuran-2-yl-2-pyridinyl)dibenzofuran-2-yl]carbazole
CID 89433742
9-(8-phenyldibenzofuran-2-yl)-3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170080657
3-[8-[6-(2,3-dihydrodibenzofuran-2-yl)-2-pyridinyl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 163864533
9-[8-[6-(9H-fluoren-9-yl)-2-pyridinyl]dibenzofuran-2-yl]carbazole
CID 164714412
9-dibenzofuran-2-yl-3-phenyl-6-(3-phenylphenyl)carbazole
CID 118488369
3-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenyl-3,4-dihydrocarbazole
CID 166953173
9-[3-[6-[3-(3,6-diphenyl-3,4-dihydrocarbazol-9-yl)phenyl]-1,8-diphenylphenanthren-3-yl]phenyl]-3,6-diphenylcarbazole
CID 89046059
3-dibenzofuran-2-yl-9-[8-(2-dibenzofuran-2-ylphenyl)dibenzofuran-2-yl]carbazole;3-dibenzofuran-2-yl-9-[8-[2-(9-phenylcarbazol-3-yl)phenyl]-8,9-dihydrodibenzofuran-2-yl]carbazole;3-[9-[8-(2-dibenzofuran-2-ylphenyl)dibenzofuran-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[8-[2-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]carbazole
CID 158139841
9-[18-(2,6-diphenylpyrimidin-4-yl)-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 59147373
3-[16-(2,6-diphenylpyrimidin-4-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl]-6,9-diphenylcarbazole
CID 67952805
3-[9-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 154593068
3-carbazol-9-yl-6-[8-[3-[8-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 148847912

Frequently Asked Questions

What is the IUPAC name of 9-[8-[3,6-bis(6-phenyl-2-pyridinyl)-3,4-dihydrocarbazol-9-yl]dibenzofuran-2-yl]-3,6-bis(6-phenyl-2-pyridinyl)carbazole?
The IUPAC name of 9-[8-[3,6-bis(6-phenyl-2-pyridinyl)-3,4-dihydrocarbazol-9-yl]dibenzofuran-2-yl]-3,6-bis(6-phenyl-2-pyridinyl)carbazole (CID 163450848) is 9-[8-[3,6-bis(6-phenyl-2-pyridinyl)-3,4-dihydrocarbazol-9-yl]dibenzofuran-2-yl]-3,6-bis(6-phenyl-2-pyridinyl)carbazole.
What is the SMILES notation for 9-[8-[3,6-bis(6-phenyl-2-pyridinyl)-3,4-dihydrocarbazol-9-yl]dibenzofuran-2-yl]-3,6-bis(6-phenyl-2-pyridinyl)carbazole?
The canonical SMILES for 9-[8-[3,6-bis(6-phenyl-2-pyridinyl)-3,4-dihydrocarbazol-9-yl]dibenzofuran-2-yl]-3,6-bis(6-phenyl-2-pyridinyl)carbazole is C1=CC(c2cccc(-c3ccccc3)n2)Cc2c1n(-c1ccc3oc4ccc(-n5c6ccc(-c7cccc(-c8ccccc8)n7)cc6c6cc(-c7cccc(-c8ccccc8)n7)ccc65)cc4c3c1)c1ccc(-c3cccc(-c4ccccc4)n3)cc21.
What is the InChIKey of 9-[8-[3,6-bis(6-phenyl-2-pyridinyl)-3,4-dihydrocarbazol-9-yl]dibenzofuran-2-yl]-3,6-bis(6-phenyl-2-pyridinyl)carbazole?
The InChIKey is BGMAGFTXFVAFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H52N6O/c1-5-17-51(18-6-1)67-25-13-29-71(81-67)55-33-39-75-61(45-55)62-46-56(72-30-14-26-68(82-72)52-19-7-2-8-20-52)34-40-76(62)85(75)59-37-43-79-65(49-59)66-50-60(38-44-80(66)87-79)86-77-41-35-57(73-31-15-27-69(83-73)53-21-9-3-10-22-53)47-63(77)64-48-58(36-42-78(64)86)74-32-16-28-70(84-74)54-23-11-4-12-24-54/h1-47,49-50,58H,48H2.
What are the key properties of 9-[8-[3,6-bis(6-phenyl-2-pyridinyl)-3,4-dihydrocarbazol-9-yl]dibenzofuran-2-yl]-3,6-bis(6-phenyl-2-pyridinyl)carbazole?
9-[8-[3,6-bis(6-phenyl-2-pyridinyl)-3,4-dihydrocarbazol-9-yl]dibenzofuran-2-yl]-3,6-bis(6-phenyl-2-pyridinyl)carbazole has a molecular weight of 1113.34 g/mol, XLogP of 20.23, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[8-[3,6-bis(6-phenyl-2-pyridinyl)-3,4-dihydrocarbazol-9-yl]dibenzofuran-2-yl]-3,6-bis(6-phenyl-2-pyridinyl)carbazole is sourced from PubChem (CID 163450848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).