9-[4-[7'-(4-carbazol-9-ylphenyl)-5-pyridin-2-ylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]carbazole

C62H41N3 — CID 58793163

IUPAC9-[4-[7'-(4-carbazol-9-ylphenyl)-5-pyridin-2-ylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]carbazole
SMILESc1ccc(-c2ccc3c(c2)CC2(C3)c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc3-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc32)nc1
InChIInChI=1S/C62H41N3/c1-5-16-58-51(11-1)52-12-2-6-17-59(52)64(58)47-28-22-40(23-29-47)42-26-32-49-50-33-27-43(41-24-30-48(31-25-41)65-60-18-7-3-13-53(60)54-14-4-8-19-61(54)65)37-56(50)62(55(49)36-42)38-45-21-20-44(35-46(45)39-62)57-15-9-10-34-63-57/h1-37H,38-39H2
InChIKeyOHXBJVQRZQJQMS-UHFFFAOYSA-N
MW828.03 g/mol
LogP15.34
Rot. Bonds5

About 9-[4-[7'-(4-carbazol-9-ylphenyl)-5-pyridin-2-ylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]carbazole

9-[4-[7'-(4-carbazol-9-ylphenyl)-5-pyridin-2-ylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]carbazole (PubChem CID 58793163) has the molecular formula C62H41N3 and a molecular weight of 828.03 g/mol. Its IUPAC name is 9-[4-[7'-(4-carbazol-9-ylphenyl)-5-pyridin-2-ylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[7'-(4-carbazol-9-ylphenyl)-5-pyridin-2-ylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]carbazole
PubChem CID58793163
Molecular FormulaC62H41N3
Molecular Weight828.03 g/mol
Exact Mass827.33
IUPAC Name9-[4-[7'-(4-carbazol-9-ylphenyl)-5-pyridin-2-ylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]carbazole
SMILESc1ccc(-c2ccc3c(c2)CC2(C3)c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc3-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc32)nc1
InChIInChI=1S/C62H41N3/c1-5-16-58-51(11-1)52-12-2-6-17-59(52)64(58)47-28-22-40(23-29-47)42-26-32-49-50-33-27-43(41-24-30-48(31-25-41)65-60-18-7-3-13-53(60)54-14-4-8-19-61(54)65)37-56(50)62(55(49)36-42)38-45-21-20-44(35-46(45)39-62)57-15-9-10-34-63-57/h1-37H,38-39H2
InChIKeyOHXBJVQRZQJQMS-UHFFFAOYSA-N
XLogP15.34
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500828.03
LogP ≤ 515.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[4-[4-[7'-[4-(4-carbazol-9-ylphenyl)phenyl]-5-pyridin-2-ylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]phenyl]carbazole
CID 58793223
9-[4-[7'-[2-(3-pyridin-2-ylphenyl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenyl]carbazole
CID 58793287
iridium;9-[4-[7'-[3-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]carbazole
CID 58793028
9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]carbazole
CID 58987327
9-[7'-[3-(7'-carbazol-9-ylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]carbazole;2-[3-[3,5-di(spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)phenyl]benzene-6-id-1-yl]pyridine;bis(iridium)
CID 159320007
iridium;9-[4-[7'-[4-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenyl]carbazole
CID 58793277
9-[4-[2-[4-[4-[4-(4-carbazol-9-ylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]phenyl]-6-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 88557862
9-[6-carbazol-9-yl-9,10-di(spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)anthracen-2-yl]carbazole
CID 59219584
3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-2-ylphenyl)carbazole
CID 118967167
5'-phenyl-2-pyridin-2-ylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 90335745
2-[3-[3-(7'-bromospiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)phenyl]phenyl]pyridine
CID 58793065
N,9-diphenyl-N-(4-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylphenyl)carbazol-2-amine
CID 162779800

Frequently Asked Questions

What is the IUPAC name of 9-[4-[7'-(4-carbazol-9-ylphenyl)-5-pyridin-2-ylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[7'-(4-carbazol-9-ylphenyl)-5-pyridin-2-ylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]carbazole (CID 58793163) is 9-[4-[7'-(4-carbazol-9-ylphenyl)-5-pyridin-2-ylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[7'-(4-carbazol-9-ylphenyl)-5-pyridin-2-ylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[7'-(4-carbazol-9-ylphenyl)-5-pyridin-2-ylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]carbazole is c1ccc(-c2ccc3c(c2)CC2(C3)c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc3-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc32)nc1.
What is the InChIKey of 9-[4-[7'-(4-carbazol-9-ylphenyl)-5-pyridin-2-ylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]carbazole?
The InChIKey is OHXBJVQRZQJQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H41N3/c1-5-16-58-51(11-1)52-12-2-6-17-59(52)64(58)47-28-22-40(23-29-47)42-26-32-49-50-33-27-43(41-24-30-48(31-25-41)65-60-18-7-3-13-53(60)54-14-4-8-19-61(54)65)37-56(50)62(55(49)36-42)38-45-21-20-44(35-46(45)39-62)57-15-9-10-34-63-57/h1-37H,38-39H2.
What are the key properties of 9-[4-[7'-(4-carbazol-9-ylphenyl)-5-pyridin-2-ylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]carbazole?
9-[4-[7'-(4-carbazol-9-ylphenyl)-5-pyridin-2-ylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]carbazole has a molecular weight of 828.03 g/mol, XLogP of 15.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[7'-(4-carbazol-9-ylphenyl)-5-pyridin-2-ylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]carbazole is sourced from PubChem (CID 58793163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).