2-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]-9-phenylcarbazole

C47H29N3O — CID 89433782

IUPAC2-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4cncc(-c5ccc6oc7ccc(-n8c9ccccc9c9ccccc98)cc7c6c5)c4)cc32)cc1
InChIInChI=1S/C47H29N3O/c1-2-10-34(11-3-1)49-42-15-7-6-14-38(42)39-21-18-31(26-45(39)49)33-24-32(28-48-29-33)30-19-22-46-40(25-30)41-27-35(20-23-47(41)51-46)50-43-16-8-4-12-36(43)37-13-5-9-17-44(37)50/h1-29H
InChIKeyZYOORJGPCZEBRO-UHFFFAOYSA-N
MW651.77 g/mol
LogP12.51
Rot. Bonds4

About 2-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]-9-phenylcarbazole

2-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]-9-phenylcarbazole (PubChem CID 89433782) has the molecular formula C47H29N3O and a molecular weight of 651.77 g/mol. Its IUPAC name is 2-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]-9-phenylcarbazole
PubChem CID89433782
Molecular FormulaC47H29N3O
Molecular Weight651.77 g/mol
Exact Mass651.23
IUPAC Name2-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4cncc(-c5ccc6oc7ccc(-n8c9ccccc9c9ccccc98)cc7c6c5)c4)cc32)cc1
InChIInChI=1S/C47H29N3O/c1-2-10-34(11-3-1)49-42-15-7-6-14-38(42)39-21-18-31(26-45(39)49)33-24-32(28-48-29-33)30-19-22-46-40(25-30)41-27-35(20-23-47(41)51-46)50-43-16-8-4-12-36(43)37-13-5-9-17-44(37)50/h1-29H
InChIKeyZYOORJGPCZEBRO-UHFFFAOYSA-N
XLogP12.51
TPSA35.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.77
LogP ≤ 512.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[3-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]phenyl]-3,6-diphenylcarbazole
CID 89433885
2,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594589
3-(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 59348276
ethane;methane;9-phenyl-2-[8-[3-(3-phenylphenyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole
CID 144724361
3-[9-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)carbazol-2-yl]-9-phenylcarbazole
CID 135171606
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
2,6-diphenyl-9-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]carbazole
CID 163479066
9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole
CID 59348295
3-phenyl-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 89491924
3,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594554
3-carbazol-9-yl-9-[8-[3-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-2-yl]carbazole;2-dibenzofuran-2-yl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole;9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole;3-phenyl-9-[8-[3-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-2-yl]carbazole;3-phenyl-9-[9-[8-[3-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-2-yl]carbazol-3-yl]carbazole
CID 159735182
9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole;9-[8-[3-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]phenyl]dibenzofuran-2-yl]carbazole
CID 158645763

Frequently Asked Questions

What is the IUPAC name of 2-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]-9-phenylcarbazole?
The IUPAC name of 2-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]-9-phenylcarbazole (CID 89433782) is 2-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]-9-phenylcarbazole.
What is the SMILES notation for 2-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]-9-phenylcarbazole?
The canonical SMILES for 2-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3ccc(-c4cncc(-c5ccc6oc7ccc(-n8c9ccccc9c9ccccc98)cc7c6c5)c4)cc32)cc1.
What is the InChIKey of 2-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]-9-phenylcarbazole?
The InChIKey is ZYOORJGPCZEBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3O/c1-2-10-34(11-3-1)49-42-15-7-6-14-38(42)39-21-18-31(26-45(39)49)33-24-32(28-48-29-33)30-19-22-46-40(25-30)41-27-35(20-23-47(41)51-46)50-43-16-8-4-12-36(43)37-13-5-9-17-44(37)50/h1-29H.
What are the key properties of 2-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]-9-phenylcarbazole?
2-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]-9-phenylcarbazole has a molecular weight of 651.77 g/mol, XLogP of 12.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]-9-phenylcarbazole is sourced from PubChem (CID 89433782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).