6-(2-methylspiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-yl)-2,4-bis[4-(4-phenylquinolin-2-yl)phenyl]-8-(9,9'-spirobi[fluorene]-2-yl)quinazoline

C101H64N4 — CID 146332510

IUPAC6-(2-methylspiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-yl)-2,4-bis[4-(4-phenylquinolin-2-yl)phenyl]-8-(9,9'-spirobi[fluorene]-2-yl)quinazoline
SMILESCC1C=CC2=C(C1)C1(c3ccccc32)c2ccccc2-c2ccc(-c3cc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c4nc(-c5ccc(-c6cc(-c7ccccc7)c7ccccc7n6)cc5)nc(-c5ccc(-c6cc(-c7ccccc7)c7ccccc7n6)cc5)c4c3)cc21
InChIInChI=1S/C101H64N4/c1-61-40-51-76-73-28-11-18-36-88(73)101(90(76)54-61)89-37-19-12-30-75(89)77-52-49-68(57-91(77)101)70-55-83(69-50-53-78-74-29-10-17-35-87(74)100(92(78)58-69)85-33-15-8-26-71(85)72-27-9-16-34-86(72)100)98-84(56-70)97(66-45-41-64(42-46-66)95-59-81(62-22-4-2-5-23-62)79-31-13-20-38-93(79)102-95)104-99(105-98)67-47-43-65(44-48-67)96-60-82(63-24-6-3-7-25-63)80-32-14-21-39-94(80)103-96/h2-53,55-61H,54H2,1H3
InChIKeyRVWYABLAWHCWHZ-UHFFFAOYSA-N
MW1333.65 g/mol
LogP25.08
Rot. Bonds8

About 6-(2-methylspiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-yl)-2,4-bis[4-(4-phenylquinolin-2-yl)phenyl]-8-(9,9'-spirobi[fluorene]-2-yl)quinazoline

6-(2-methylspiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-yl)-2,4-bis[4-(4-phenylquinolin-2-yl)phenyl]-8-(9,9'-spirobi[fluorene]-2-yl)quinazoline (PubChem CID 146332510) has the molecular formula C101H64N4 and a molecular weight of 1333.65 g/mol. Its IUPAC name is 6-(2-methylspiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-yl)-2,4-bis[4-(4-phenylquinolin-2-yl)phenyl]-8-(9,9'-spirobi[fluorene]-2-yl)quinazoline.

Molecular Properties

Compound Name6-(2-methylspiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-yl)-2,4-bis[4-(4-phenylquinolin-2-yl)phenyl]-8-(9,9'-spirobi[fluorene]-2-yl)quinazoline
PubChem CID146332510
Molecular FormulaC101H64N4
Molecular Weight1333.65 g/mol
Exact Mass1332.51
IUPAC Name6-(2-methylspiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-yl)-2,4-bis[4-(4-phenylquinolin-2-yl)phenyl]-8-(9,9'-spirobi[fluorene]-2-yl)quinazoline
SMILESCC1C=CC2=C(C1)C1(c3ccccc32)c2ccccc2-c2ccc(-c3cc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c4nc(-c5ccc(-c6cc(-c7ccccc7)c7ccccc7n6)cc5)nc(-c5ccc(-c6cc(-c7ccccc7)c7ccccc7n6)cc5)c4c3)cc21
InChIInChI=1S/C101H64N4/c1-61-40-51-76-73-28-11-18-36-88(73)101(90(76)54-61)89-37-19-12-30-75(89)77-52-49-68(57-91(77)101)70-55-83(69-50-53-78-74-29-10-17-35-87(74)100(92(78)58-69)85-33-15-8-26-71(85)72-27-9-16-34-86(72)100)98-84(56-70)97(66-45-41-64(42-46-66)95-59-81(62-22-4-2-5-23-62)79-31-13-20-38-93(79)102-95)104-99(105-98)67-47-43-65(44-48-67)96-60-82(63-24-6-3-7-25-63)80-32-14-21-39-94(80)103-96/h2-53,55-61H,54H2,1H3
InChIKeyRVWYABLAWHCWHZ-UHFFFAOYSA-N
XLogP25.08
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms105
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001333.65
LogP ≤ 525.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(2-methylspiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-yl)-2,4-bis[4-(4-phenylquinolin-2-yl)phenyl]-8-(9,9'-spirobi[fluorene]-2-yl)quinazoline with MolForge

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Related Compounds

2-(4-phenylphenyl)-4-[4-[6-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]phenyl]quinoline
CID 129302329
2-phenyl-4-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]quinazoline
CID 167177421
2-(4-phenylphenyl)-4-(4-spiro[fluorene-9,9'-thioxanthene]-2-ylphenyl)quinazoline;4-(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-thioxanthene]-2-ylphenyl)quinazoline;4-phenyl-2-(4-spiro[fluorene-9,9'-thioxanthene]-2-ylphenyl)quinazoline
CID 158243649
4-phenyl-2-(4-spiro[fluorene-9,9'-thioxanthene]-2-ylphenyl)quinazoline
CID 139306466
9-[4-[2-(4-acridin-9-ylphenyl)-6,8-di(triphenylen-2-yl)quinazolin-4-yl]phenyl]acridine;2,4-bis[4-(4-phenylquinolin-2-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazoline;4-[2-(4-cyanophenyl)-6,8-di(triphenylen-2-yl)quinazolin-4-yl]benzonitrile;4-[4-[2-[4-(4-cyanophenyl)phenyl]-6,8-di(triphenylen-2-yl)quinazolin-4-yl]phenyl]benzonitrile
CID 159272483
2,4-bis(1,2-diphenylbenzimidazol-5-yl)-6,8-bis(9,9'-spirobi[fluorene]-2-yl)quinazoline;2,4-bis[4-(1,2-diphenylbenzimidazol-5-yl)phenyl]-6,8-bis(9,9'-spirobi[fluorene]-2-yl)quinazoline;2,4-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-6,8-bis(9,9'-spirobi[fluorene]-2-yl)quinazoline
CID 158500862
CID 146536637
CID 146536637
4-(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)quinazoline
CID 139306744
2,4,6,8-tetraphenylquinazoline
CID 143301080
2,4-diphenyl-8-(9,9'-spirobi[fluorene]-2-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 134399102
N-[4-(7-methylspiro[7,8-dihydrofluorene-9,9'-fluorene]-2-yl)phenyl]-N-naphthalen-2-yl-6-phenyl-3,4-dihydrodibenzofuran-4-amine
CID 166777300
4-phenyl-2-(4-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)quinazoline
CID 142469839

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylspiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-yl)-2,4-bis[4-(4-phenylquinolin-2-yl)phenyl]-8-(9,9'-spirobi[fluorene]-2-yl)quinazoline?
The IUPAC name of 6-(2-methylspiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-yl)-2,4-bis[4-(4-phenylquinolin-2-yl)phenyl]-8-(9,9'-spirobi[fluorene]-2-yl)quinazoline (CID 146332510) is 6-(2-methylspiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-yl)-2,4-bis[4-(4-phenylquinolin-2-yl)phenyl]-8-(9,9'-spirobi[fluorene]-2-yl)quinazoline.
What is the SMILES notation for 6-(2-methylspiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-yl)-2,4-bis[4-(4-phenylquinolin-2-yl)phenyl]-8-(9,9'-spirobi[fluorene]-2-yl)quinazoline?
The canonical SMILES for 6-(2-methylspiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-yl)-2,4-bis[4-(4-phenylquinolin-2-yl)phenyl]-8-(9,9'-spirobi[fluorene]-2-yl)quinazoline is CC1C=CC2=C(C1)C1(c3ccccc32)c2ccccc2-c2ccc(-c3cc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c4nc(-c5ccc(-c6cc(-c7ccccc7)c7ccccc7n6)cc5)nc(-c5ccc(-c6cc(-c7ccccc7)c7ccccc7n6)cc5)c4c3)cc21.
What is the InChIKey of 6-(2-methylspiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-yl)-2,4-bis[4-(4-phenylquinolin-2-yl)phenyl]-8-(9,9'-spirobi[fluorene]-2-yl)quinazoline?
The InChIKey is RVWYABLAWHCWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C101H64N4/c1-61-40-51-76-73-28-11-18-36-88(73)101(90(76)54-61)89-37-19-12-30-75(89)77-52-49-68(57-91(77)101)70-55-83(69-50-53-78-74-29-10-17-35-87(74)100(92(78)58-69)85-33-15-8-26-71(85)72-27-9-16-34-86(72)100)98-84(56-70)97(66-45-41-64(42-46-66)95-59-81(62-22-4-2-5-23-62)79-31-13-20-38-93(79)102-95)104-99(105-98)67-47-43-65(44-48-67)96-60-82(63-24-6-3-7-25-63)80-32-14-21-39-94(80)103-96/h2-53,55-61H,54H2,1H3.
What are the key properties of 6-(2-methylspiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-yl)-2,4-bis[4-(4-phenylquinolin-2-yl)phenyl]-8-(9,9'-spirobi[fluorene]-2-yl)quinazoline?
6-(2-methylspiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-yl)-2,4-bis[4-(4-phenylquinolin-2-yl)phenyl]-8-(9,9'-spirobi[fluorene]-2-yl)quinazoline has a molecular weight of 1333.65 g/mol, XLogP of 25.08, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylspiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-yl)-2,4-bis[4-(4-phenylquinolin-2-yl)phenyl]-8-(9,9'-spirobi[fluorene]-2-yl)quinazoline is sourced from PubChem (CID 146332510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).