1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-(9,9'-spirobi[3,4-dihydrofluorene]-2'-yl)-10-(9,9'-spirobi[fluorene]-2-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline

C82H60N2 — CID 89110924

IUPAC1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-(9,9'-spirobi[3,4-dihydrofluorene]-2'-yl)-10-(9,9'-spirobi[fluorene]-2-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline
SMILESC1=CC2=C(CC1)c1ccccc1C21C2=C(CCC(c3c4cc(N5CCCc6ccccc65)ccc4c(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c4cc(N5CCCc6ccccc65)ccc34)=C2)c2ccccc21
InChIInChI=1S/C82H60N2/c1-15-35-77-51(19-1)21-17-45-83(77)55-39-43-65-67(49-55)79(53-37-41-63-61-27-7-13-33-73(61)81(75(63)47-53)69-29-9-3-23-57(69)58-24-4-10-30-70(58)81)66-44-40-56(84-46-18-22-52-20-2-16-36-78(52)84)50-68(66)80(65)54-38-42-64-62-28-8-14-34-74(62)82(76(64)48-54)71-31-11-5-25-59(71)60-26-6-12-32-72(60)82/h1-5,7-16,19-20,23-25,27-37,39-41,43-44,47-50H,6,17-18,21-22,26,38,42,45-46H2
InChIKeyVQZWVRGKYOBLDT-UHFFFAOYSA-N
MW1073.40 g/mol
LogP20.22
Rot. Bonds4

About 1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-(9,9'-spirobi[3,4-dihydrofluorene]-2'-yl)-10-(9,9'-spirobi[fluorene]-2-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline

1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-(9,9'-spirobi[3,4-dihydrofluorene]-2'-yl)-10-(9,9'-spirobi[fluorene]-2-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline (PubChem CID 89110924) has the molecular formula C82H60N2 and a molecular weight of 1073.40 g/mol. Its IUPAC name is 1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-(9,9'-spirobi[3,4-dihydrofluorene]-2'-yl)-10-(9,9'-spirobi[fluorene]-2-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-(9,9'-spirobi[3,4-dihydrofluorene]-2'-yl)-10-(9,9'-spirobi[fluorene]-2-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline
PubChem CID89110924
Molecular FormulaC82H60N2
Molecular Weight1073.40 g/mol
Exact Mass1072.48
IUPAC Name1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-(9,9'-spirobi[3,4-dihydrofluorene]-2'-yl)-10-(9,9'-spirobi[fluorene]-2-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline
SMILESC1=CC2=C(CC1)c1ccccc1C21C2=C(CCC(c3c4cc(N5CCCc6ccccc65)ccc4c(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c4cc(N5CCCc6ccccc65)ccc34)=C2)c2ccccc21
InChIInChI=1S/C82H60N2/c1-15-35-77-51(19-1)21-17-45-83(77)55-39-43-65-67(49-55)79(53-37-41-63-61-27-7-13-33-73(61)81(75(63)47-53)69-29-9-3-23-57(69)58-24-4-10-30-70(58)81)66-44-40-56(84-46-18-22-52-20-2-16-36-78(52)84)50-68(66)80(65)54-38-42-64-62-28-8-14-34-74(62)82(76(64)48-54)71-31-11-5-25-59(71)60-26-6-12-32-72(60)82/h1-5,7-16,19-20,23-25,27-37,39-41,43-44,47-50H,6,17-18,21-22,26,38,42,45-46H2
InChIKeyVQZWVRGKYOBLDT-UHFFFAOYSA-N
XLogP20.22
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001073.40
LogP ≤ 520.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-(9,9'-spirobi[3,4-dihydrofluorene]-2'-yl)-10-(9,9'-spirobi[fluorene]-2-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline with MolForge

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Related Compounds

5-methyl-10-[6-(10-methylphenazin-5-yl)-9-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-yl-10-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-ylanthracen-2-yl]phenazine
CID 89111089
28-(3,4-dihydro-2H-quinolin-1-yl)-12-methyl-25-phenyl-20-azanonacyclo[19.10.2.22,5.213,16.04,12.06,11.015,20.024,32.026,31]heptatriaconta-1(32),2,4,6,8,10,13,15,21(33),22,24,26(31),27,29,34,36-hexadecaene
CID 89090587
1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9,10-bis(9,9-dimethylfluoren-4-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline
CID 59220942
1-[9-phenyl-10-(4-phenylnaphthalen-1-yl)-6-(3,4,7,8-tetrahydro-2H-quinolin-1-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline
CID 89110888
5-(4-phenylphenyl)-10-(9,9'-spirobi[3,4-dihydrofluorene]-2'-yl)phenazine
CID 123370130
1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-naphthalen-2-yl-10-(4-naphthalen-1-ylphenyl)anthracen-2-yl]-3,4-dihydro-2H-quinoline
CID 59220521
1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-naphthalen-2-yl-10-phenanthren-9-ylanthracen-2-yl]-3,4-dihydro-2H-quinoline
CID 59220542
1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-naphthalen-1-yl-10-(4-naphthalen-2-ylcyclohexa-1,3-dien-1-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline
CID 89111173
10-[9-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-2-yl)-6-(9,9-dimethylacridin-10-yl)-10-(9,9-diphenylfluoren-2-yl)anthracen-2-yl]-9,9-dimethylacridine
CID 89111204
9,9-dimethyl-10-naphthalen-1-yl-2-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylacridine
CID 90087290
1-[9-(9,9-dimethylfluoren-2-yl)-10-(9-methylidenefluoren-2-yl)-6-(2H-quinolin-1-yl)anthracen-2-yl]-2H-quinoline
CID 89168041
1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-naphthalen-1-yl-10-(2-naphthalen-1-ylphenyl)anthracen-2-yl]-3,4-dihydro-2H-quinoline
CID 59220392

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-(9,9'-spirobi[3,4-dihydrofluorene]-2'-yl)-10-(9,9'-spirobi[fluorene]-2-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-(9,9'-spirobi[3,4-dihydrofluorene]-2'-yl)-10-(9,9'-spirobi[fluorene]-2-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline (CID 89110924) is 1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-(9,9'-spirobi[3,4-dihydrofluorene]-2'-yl)-10-(9,9'-spirobi[fluorene]-2-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-(9,9'-spirobi[3,4-dihydrofluorene]-2'-yl)-10-(9,9'-spirobi[fluorene]-2-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-(9,9'-spirobi[3,4-dihydrofluorene]-2'-yl)-10-(9,9'-spirobi[fluorene]-2-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline is C1=CC2=C(CC1)c1ccccc1C21C2=C(CCC(c3c4cc(N5CCCc6ccccc65)ccc4c(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c4cc(N5CCCc6ccccc65)ccc34)=C2)c2ccccc21.
What is the InChIKey of 1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-(9,9'-spirobi[3,4-dihydrofluorene]-2'-yl)-10-(9,9'-spirobi[fluorene]-2-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline?
The InChIKey is VQZWVRGKYOBLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H60N2/c1-15-35-77-51(19-1)21-17-45-83(77)55-39-43-65-67(49-55)79(53-37-41-63-61-27-7-13-33-73(61)81(75(63)47-53)69-29-9-3-23-57(69)58-24-4-10-30-70(58)81)66-44-40-56(84-46-18-22-52-20-2-16-36-78(52)84)50-68(66)80(65)54-38-42-64-62-28-8-14-34-74(62)82(76(64)48-54)71-31-11-5-25-59(71)60-26-6-12-32-72(60)82/h1-5,7-16,19-20,23-25,27-37,39-41,43-44,47-50H,6,17-18,21-22,26,38,42,45-46H2.
What are the key properties of 1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-(9,9'-spirobi[3,4-dihydrofluorene]-2'-yl)-10-(9,9'-spirobi[fluorene]-2-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline?
1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-(9,9'-spirobi[3,4-dihydrofluorene]-2'-yl)-10-(9,9'-spirobi[fluorene]-2-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline has a molecular weight of 1073.40 g/mol, XLogP of 20.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-(9,9'-spirobi[3,4-dihydrofluorene]-2'-yl)-10-(9,9'-spirobi[fluorene]-2-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 89110924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).