9-[3-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]phenyl]-3,6-diphenylcarbazole

C59H37N3O — CID 89433885

IUPAC9-[3-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]phenyl]-3,6-diphenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cccc(-c3cncc(-c4ccc5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c5c4)c3)c2)cc1
InChIInChI=1S/C59H37N3O/c1-3-12-38(13-4-1)41-22-26-56-50(32-41)51-33-42(39-14-5-2-6-15-39)23-27-57(51)61(56)46-17-11-16-40(31-46)44-30-45(37-60-36-44)43-24-28-58-52(34-43)53-35-47(25-29-59(53)63-58)62-54-20-9-7-18-48(54)49-19-8-10-21-55(49)62/h1-37H
InChIKeyKHVCTMPBVGUDHQ-UHFFFAOYSA-N
MW803.97 g/mol
LogP15.84
Rot. Bonds6

About 9-[3-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]phenyl]-3,6-diphenylcarbazole

9-[3-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]phenyl]-3,6-diphenylcarbazole (PubChem CID 89433885) has the molecular formula C59H37N3O and a molecular weight of 803.97 g/mol. Its IUPAC name is 9-[3-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]phenyl]-3,6-diphenylcarbazole.

Molecular Properties

Compound Name9-[3-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]phenyl]-3,6-diphenylcarbazole
PubChem CID89433885
Molecular FormulaC59H37N3O
Molecular Weight803.97 g/mol
Exact Mass803.29
IUPAC Name9-[3-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]phenyl]-3,6-diphenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cccc(-c3cncc(-c4ccc5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c5c4)c3)c2)cc1
InChIInChI=1S/C59H37N3O/c1-3-12-38(13-4-1)41-22-26-56-50(32-41)51-33-42(39-14-5-2-6-15-39)23-27-57(51)61(56)46-17-11-16-40(31-46)44-30-45(37-60-36-44)43-24-28-58-52(34-43)53-35-47(25-29-59(53)63-58)62-54-20-9-7-18-48(54)49-19-8-10-21-55(49)62/h1-37H
InChIKeyKHVCTMPBVGUDHQ-UHFFFAOYSA-N
XLogP15.84
TPSA35.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.97
LogP ≤ 515.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(3-phenylphenyl)phenyl]-9-[3-[8-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]carbazol-9-yl]dibenzofuran-2-yl]phenyl]carbazole
CID 118505153
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazole
CID 129265423
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 90350922
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-6-phenyl-9-(3-phenylphenyl)carbazole
CID 170072680
3-phenyl-9-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole
CID 170390017
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
3-[9-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 154593068
2-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]-9-phenylcarbazole
CID 89433782
9-dibenzofuran-2-yl-3-[3-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 123613126
3-phenyl-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 89491924
3-carbazol-9-yl-9-[3-phenyl-5-(8-phenyldibenzofuran-2-yl)phenyl]carbazole;3-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-6,9-diphenylcarbazole;3-dibenzofuran-2-yl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 159930551
3-(8-carbazol-9-yldibenzofuran-2-yl)-9-(3,5-diphenylphenyl)carbazole;ethane
CID 144605145

Frequently Asked Questions

What is the IUPAC name of 9-[3-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]phenyl]-3,6-diphenylcarbazole?
The IUPAC name of 9-[3-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]phenyl]-3,6-diphenylcarbazole (CID 89433885) is 9-[3-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]phenyl]-3,6-diphenylcarbazole.
What is the SMILES notation for 9-[3-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]phenyl]-3,6-diphenylcarbazole?
The canonical SMILES for 9-[3-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]phenyl]-3,6-diphenylcarbazole is c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cccc(-c3cncc(-c4ccc5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c5c4)c3)c2)cc1.
What is the InChIKey of 9-[3-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]phenyl]-3,6-diphenylcarbazole?
The InChIKey is KHVCTMPBVGUDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37N3O/c1-3-12-38(13-4-1)41-22-26-56-50(32-41)51-33-42(39-14-5-2-6-15-39)23-27-57(51)61(56)46-17-11-16-40(31-46)44-30-45(37-60-36-44)43-24-28-58-52(34-43)53-35-47(25-29-59(53)63-58)62-54-20-9-7-18-48(54)49-19-8-10-21-55(49)62/h1-37H.
What are the key properties of 9-[3-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]phenyl]-3,6-diphenylcarbazole?
9-[3-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]phenyl]-3,6-diphenylcarbazole has a molecular weight of 803.97 g/mol, XLogP of 15.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]phenyl]-3,6-diphenylcarbazole is sourced from PubChem (CID 89433885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).