6',8'-diphenyl-9'-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[fluorene-9,13'-quinolino[4,3-b]acridine];9'-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6',8'-diphenylspiro[fluorene-9,13'-quinolino[4,3-b]acridine]

C127H79N9 — CID 163673418

IUPAC6',8'-diphenyl-9'-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[fluorene-9,13'-quinolino[4,3-b]acridine];9'-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6',8'-diphenylspiro[fluorene-9,13'-quinolino[4,3-b]acridine]
SMILESc1ccc(-c2ccc3ccc4ccc(-c5cccc6c5N(c5ccccc5)c5cc7c(-c8ccccc8)nc8ccccc8c7cc5C65c6ccccc6-c6ccccc65)nc4c3n2)cc1.c1ccc(-c2nc3ccccc3c3cc4c(cc23)N(c2ccccc2)c2c(-c3ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc3)cccc2C42c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C65H41N5.C62H38N4/c1-3-18-44(19-4-1)63-52-41-62-56(40-51(52)50-24-9-12-29-57(50)69-63)65(53-26-10-7-22-48(53)49-23-8-11-27-54(49)65)55-28-17-25-47(64(55)70(62)46-20-5-2-6-21-46)43-34-32-42(33-35-43)45-38-60(58-30-13-15-36-66-58)68-61(39-45)59-31-14-16-37-67-59;1-4-17-39(18-5-1)54-35-33-41-31-32-42-34-36-56(65-60(42)59(41)63-54)47-26-16-29-52-61(47)66(43-21-8-3-9-22-43)57-38-49-48(46-25-12-15-30-55(46)64-58(49)40-19-6-2-7-20-40)37-53(57)62(52)50-27-13-10-23-44(50)45-24-11-14-28-51(45)62/h1-41H;1-38H
InChIKeyJENXXLWOEQCETC-UHFFFAOYSA-N
MW1731.09 g/mol
LogP31.69
Rot. Bonds10

About 6',8'-diphenyl-9'-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[fluorene-9,13'-quinolino[4,3-b]acridine];9'-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6',8'-diphenylspiro[fluorene-9,13'-quinolino[4,3-b]acridine]

6',8'-diphenyl-9'-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[fluorene-9,13'-quinolino[4,3-b]acridine];9'-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6',8'-diphenylspiro[fluorene-9,13'-quinolino[4,3-b]acridine] (PubChem CID 163673418) has the molecular formula C127H79N9 and a molecular weight of 1731.09 g/mol. Its IUPAC name is 6',8'-diphenyl-9'-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[fluorene-9,13'-quinolino[4,3-b]acridine];9'-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6',8'-diphenylspiro[fluorene-9,13'-quinolino[4,3-b]acridine].

Molecular Properties

Compound Name6',8'-diphenyl-9'-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[fluorene-9,13'-quinolino[4,3-b]acridine];9'-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6',8'-diphenylspiro[fluorene-9,13'-quinolino[4,3-b]acridine]
PubChem CID163673418
Molecular FormulaC127H79N9
Molecular Weight1731.09 g/mol
Exact Mass1729.65
IUPAC Name6',8'-diphenyl-9'-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[fluorene-9,13'-quinolino[4,3-b]acridine];9'-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6',8'-diphenylspiro[fluorene-9,13'-quinolino[4,3-b]acridine]
SMILESc1ccc(-c2ccc3ccc4ccc(-c5cccc6c5N(c5ccccc5)c5cc7c(-c8ccccc8)nc8ccccc8c7cc5C65c6ccccc6-c6ccccc65)nc4c3n2)cc1.c1ccc(-c2nc3ccccc3c3cc4c(cc23)N(c2ccccc2)c2c(-c3ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc3)cccc2C42c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C65H41N5.C62H38N4/c1-3-18-44(19-4-1)63-52-41-62-56(40-51(52)50-24-9-12-29-57(50)69-63)65(53-26-10-7-22-48(53)49-23-8-11-27-54(49)65)55-28-17-25-47(64(55)70(62)46-20-5-2-6-21-46)43-34-32-42(33-35-43)45-38-60(58-30-13-15-36-66-58)68-61(39-45)59-31-14-16-37-67-59;1-4-17-39(18-5-1)54-35-33-41-31-32-42-34-36-56(65-60(42)59(41)63-54)47-26-16-29-52-61(47)66(43-21-8-3-9-22-43)57-38-49-48(46-25-12-15-30-55(46)64-58(49)40-19-6-2-7-20-40)37-53(57)62(52)50-27-13-10-23-44(50)45-24-11-14-28-51(45)62/h1-41H;1-38H
InChIKeyJENXXLWOEQCETC-UHFFFAOYSA-N
XLogP31.69
TPSA96.71 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms136
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001731.09
LogP ≤ 531.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6',8'-diphenyl-9'-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[fluorene-9,13'-quinolino[4,3-b]acridine];9'-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6',8'-diphenylspiro[fluorene-9,13'-quinolino[4,3-b]acridine] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6',8'-diphenyl-9'-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[fluorene-9,13'-quinolino[4,3-b]acridine];9'-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6',8'-diphenylspiro[fluorene-9,13'-quinolino[4,3-b]acridine]?
The IUPAC name of 6',8'-diphenyl-9'-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[fluorene-9,13'-quinolino[4,3-b]acridine];9'-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6',8'-diphenylspiro[fluorene-9,13'-quinolino[4,3-b]acridine] (CID 163673418) is 6',8'-diphenyl-9'-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[fluorene-9,13'-quinolino[4,3-b]acridine];9'-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6',8'-diphenylspiro[fluorene-9,13'-quinolino[4,3-b]acridine].
What is the SMILES notation for 6',8'-diphenyl-9'-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[fluorene-9,13'-quinolino[4,3-b]acridine];9'-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6',8'-diphenylspiro[fluorene-9,13'-quinolino[4,3-b]acridine]?
The canonical SMILES for 6',8'-diphenyl-9'-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[fluorene-9,13'-quinolino[4,3-b]acridine];9'-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6',8'-diphenylspiro[fluorene-9,13'-quinolino[4,3-b]acridine] is c1ccc(-c2ccc3ccc4ccc(-c5cccc6c5N(c5ccccc5)c5cc7c(-c8ccccc8)nc8ccccc8c7cc5C65c6ccccc6-c6ccccc65)nc4c3n2)cc1.c1ccc(-c2nc3ccccc3c3cc4c(cc23)N(c2ccccc2)c2c(-c3ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc3)cccc2C42c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 6',8'-diphenyl-9'-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[fluorene-9,13'-quinolino[4,3-b]acridine];9'-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6',8'-diphenylspiro[fluorene-9,13'-quinolino[4,3-b]acridine]?
The InChIKey is JENXXLWOEQCETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H41N5.C62H38N4/c1-3-18-44(19-4-1)63-52-41-62-56(40-51(52)50-24-9-12-29-57(50)69-63)65(53-26-10-7-22-48(53)49-23-8-11-27-54(49)65)55-28-17-25-47(64(55)70(62)46-20-5-2-6-21-46)43-34-32-42(33-35-43)45-38-60(58-30-13-15-36-66-58)68-61(39-45)59-31-14-16-37-67-59;1-4-17-39(18-5-1)54-35-33-41-31-32-42-34-36-56(65-60(42)59(41)63-54)47-26-16-29-52-61(47)66(43-21-8-3-9-22-43)57-38-49-48(46-25-12-15-30-55(46)64-58(49)40-19-6-2-7-20-40)37-53(57)62(52)50-27-13-10-23-44(50)45-24-11-14-28-51(45)62/h1-41H;1-38H.
What are the key properties of 6',8'-diphenyl-9'-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[fluorene-9,13'-quinolino[4,3-b]acridine];9'-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6',8'-diphenylspiro[fluorene-9,13'-quinolino[4,3-b]acridine]?
6',8'-diphenyl-9'-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[fluorene-9,13'-quinolino[4,3-b]acridine];9'-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6',8'-diphenylspiro[fluorene-9,13'-quinolino[4,3-b]acridine] has a molecular weight of 1731.09 g/mol, XLogP of 31.69, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6',8'-diphenyl-9'-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[fluorene-9,13'-quinolino[4,3-b]acridine];9'-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6',8'-diphenylspiro[fluorene-9,13'-quinolino[4,3-b]acridine] is sourced from PubChem (CID 163673418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).