9-[6-carbazol-9-yl-9,10-di(spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)anthracen-2-yl]carbazole

C80H52N2 — CID 59219584

IUPAC9-[6-carbazol-9-yl-9,10-di(spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)anthracen-2-yl]carbazole
SMILESc1ccc2c(c1)CC1(C2)c2ccccc2-c2ccc(-c3c4ccc(-n5c6ccccc6c6ccccc65)cc4c(-c4ccc5c(c4)C4(Cc6ccccc6C4)c4ccccc4-5)c4ccc(-n5c6ccccc6c6ccccc65)cc34)cc21
InChIInChI=1S/C80H52N2/c1-2-18-52-46-79(45-51(52)17-1)69-27-11-5-21-57(69)59-37-33-49(41-71(59)79)77-65-39-35-56(82-75-31-15-9-25-63(75)64-26-10-16-32-76(64)82)44-68(65)78(66-40-36-55(43-67(66)77)81-73-29-13-7-23-61(73)62-24-8-14-30-74(62)81)50-34-38-60-58-22-6-12-28-70(58)80(72(60)42-50)47-53-19-3-4-20-54(53)48-80/h1-44H,45-48H2
InChIKeyOMOWVXYGDAFQHA-UHFFFAOYSA-N
MW1041.31 g/mol
LogP19.65
Rot. Bonds4

About 9-[6-carbazol-9-yl-9,10-di(spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)anthracen-2-yl]carbazole

9-[6-carbazol-9-yl-9,10-di(spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)anthracen-2-yl]carbazole (PubChem CID 59219584) has the molecular formula C80H52N2 and a molecular weight of 1041.31 g/mol. Its IUPAC name is 9-[6-carbazol-9-yl-9,10-di(spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)anthracen-2-yl]carbazole.

Molecular Properties

Compound Name9-[6-carbazol-9-yl-9,10-di(spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)anthracen-2-yl]carbazole
PubChem CID59219584
Molecular FormulaC80H52N2
Molecular Weight1041.31 g/mol
Exact Mass1040.41
IUPAC Name9-[6-carbazol-9-yl-9,10-di(spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)anthracen-2-yl]carbazole
SMILESc1ccc2c(c1)CC1(C2)c2ccccc2-c2ccc(-c3c4ccc(-n5c6ccccc6c6ccccc65)cc4c(-c4ccc5c(c4)C4(Cc6ccccc6C4)c4ccccc4-5)c4ccc(-n5c6ccccc6c6ccccc65)cc34)cc21
InChIInChI=1S/C80H52N2/c1-2-18-52-46-79(45-51(52)17-1)69-27-11-5-21-57(69)59-37-33-49(41-71(59)79)77-65-39-35-56(82-75-31-15-9-25-63(75)64-26-10-16-32-76(64)82)44-68(65)78(66-40-36-55(43-67(66)77)81-73-29-13-7-23-61(73)62-24-8-14-30-74(62)81)50-34-38-60-58-22-6-12-28-70(58)80(72(60)42-50)47-53-19-3-4-20-54(53)48-80/h1-44H,45-48H2
InChIKeyOMOWVXYGDAFQHA-UHFFFAOYSA-N
XLogP19.65
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001041.31
LogP ≤ 519.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

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-[6-carbazol-9-yl-9-(9,9-dimethylfluoren-2-yl)-10-[3-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-2-yl]carbazole
CID 59220162
9-[7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]carbazole
CID 58676147
N,9-diphenyl-N-(4-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylphenyl)carbazol-2-amine
CID 162779800
9-[4-[7'-(4-carbazol-9-ylphenyl)-5-pyridin-2-ylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]carbazole
CID 58793163
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-fluorophenyl)-N-(4-phenylphenyl)-N-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylcarbazol-3-amine
CID 162779812
2'-[5-(5-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylnaphthalen-1-yl)naphthalen-1-yl]spiro[1,3-dihydroindene-2,9'-fluorene]
CID 58814378
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
9-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]carbazole
CID 59195147
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(3-phenylphenyl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine
CID 162779846
9-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]-3-dibenzofuran-4-ylcarbazole
CID 87156778

Frequently Asked Questions

What is the IUPAC name of 9-[6-carbazol-9-yl-9,10-di(spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)anthracen-2-yl]carbazole?
The IUPAC name of 9-[6-carbazol-9-yl-9,10-di(spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)anthracen-2-yl]carbazole (CID 59219584) is 9-[6-carbazol-9-yl-9,10-di(spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)anthracen-2-yl]carbazole.
What is the SMILES notation for 9-[6-carbazol-9-yl-9,10-di(spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)anthracen-2-yl]carbazole?
The canonical SMILES for 9-[6-carbazol-9-yl-9,10-di(spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)anthracen-2-yl]carbazole is c1ccc2c(c1)CC1(C2)c2ccccc2-c2ccc(-c3c4ccc(-n5c6ccccc6c6ccccc65)cc4c(-c4ccc5c(c4)C4(Cc6ccccc6C4)c4ccccc4-5)c4ccc(-n5c6ccccc6c6ccccc65)cc34)cc21.
What is the InChIKey of 9-[6-carbazol-9-yl-9,10-di(spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)anthracen-2-yl]carbazole?
The InChIKey is OMOWVXYGDAFQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H52N2/c1-2-18-52-46-79(45-51(52)17-1)69-27-11-5-21-57(69)59-37-33-49(41-71(59)79)77-65-39-35-56(82-75-31-15-9-25-63(75)64-26-10-16-32-76(64)82)44-68(65)78(66-40-36-55(43-67(66)77)81-73-29-13-7-23-61(73)62-24-8-14-30-74(62)81)50-34-38-60-58-22-6-12-28-70(58)80(72(60)42-50)47-53-19-3-4-20-54(53)48-80/h1-44H,45-48H2.
What are the key properties of 9-[6-carbazol-9-yl-9,10-di(spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)anthracen-2-yl]carbazole?
9-[6-carbazol-9-yl-9,10-di(spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)anthracen-2-yl]carbazole has a molecular weight of 1041.31 g/mol, XLogP of 19.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-carbazol-9-yl-9,10-di(spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)anthracen-2-yl]carbazole is sourced from PubChem (CID 59219584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).