2-[3-[7-[4-[4-[9,9-dimethyl-7-(3-quinazolin-2-ylphenyl)fluoren-2-yl]-2,6-dimethylphenyl]-3,5-dimethylphenyl]-9,9-dimethylfluoren-2-yl]phenyl]quinazoline

C74H58N4 — CID 58880911

IUPAC2-[3-[7-[4-[4-[9,9-dimethyl-7-(3-quinazolin-2-ylphenyl)fluoren-2-yl]-2,6-dimethylphenyl]-3,5-dimethylphenyl]-9,9-dimethylfluoren-2-yl]phenyl]quinazoline
SMILESCc1cc(-c2ccc3c(c2)C(C)(C)c2cc(-c4cccc(-c5ncc6ccccc6n5)c4)ccc2-3)cc(C)c1-c1c(C)cc(-c2ccc3c(c2)C(C)(C)c2cc(-c4cccc(-c5ncc6ccccc6n5)c4)ccc2-3)cc1C
InChIInChI=1S/C74H58N4/c1-43-31-57(51-25-29-61-59-27-23-49(37-63(59)73(5,6)65(61)39-51)47-17-13-19-53(35-47)71-75-41-55-15-9-11-21-67(55)77-71)32-44(2)69(43)70-45(3)33-58(34-46(70)4)52-26-30-62-60-28-24-50(38-64(60)74(7,8)66(62)40-52)48-18-14-20-54(36-48)72-76-42-56-16-10-12-22-68(56)78-72/h9-42H,1-8H3
InChIKeyMZXDZXYFNCEMDL-UHFFFAOYSA-N
MW1003.31 g/mol
LogP19.09
Rot. Bonds7

About 2-[3-[7-[4-[4-[9,9-dimethyl-7-(3-quinazolin-2-ylphenyl)fluoren-2-yl]-2,6-dimethylphenyl]-3,5-dimethylphenyl]-9,9-dimethylfluoren-2-yl]phenyl]quinazoline

2-[3-[7-[4-[4-[9,9-dimethyl-7-(3-quinazolin-2-ylphenyl)fluoren-2-yl]-2,6-dimethylphenyl]-3,5-dimethylphenyl]-9,9-dimethylfluoren-2-yl]phenyl]quinazoline (PubChem CID 58880911) has the molecular formula C74H58N4 and a molecular weight of 1003.31 g/mol. Its IUPAC name is 2-[3-[7-[4-[4-[9,9-dimethyl-7-(3-quinazolin-2-ylphenyl)fluoren-2-yl]-2,6-dimethylphenyl]-3,5-dimethylphenyl]-9,9-dimethylfluoren-2-yl]phenyl]quinazoline.

Molecular Properties

Compound Name2-[3-[7-[4-[4-[9,9-dimethyl-7-(3-quinazolin-2-ylphenyl)fluoren-2-yl]-2,6-dimethylphenyl]-3,5-dimethylphenyl]-9,9-dimethylfluoren-2-yl]phenyl]quinazoline
PubChem CID58880911
Molecular FormulaC74H58N4
Molecular Weight1003.31 g/mol
Exact Mass1002.47
IUPAC Name2-[3-[7-[4-[4-[9,9-dimethyl-7-(3-quinazolin-2-ylphenyl)fluoren-2-yl]-2,6-dimethylphenyl]-3,5-dimethylphenyl]-9,9-dimethylfluoren-2-yl]phenyl]quinazoline
SMILESCc1cc(-c2ccc3c(c2)C(C)(C)c2cc(-c4cccc(-c5ncc6ccccc6n5)c4)ccc2-3)cc(C)c1-c1c(C)cc(-c2ccc3c(c2)C(C)(C)c2cc(-c4cccc(-c5ncc6ccccc6n5)c4)ccc2-3)cc1C
InChIInChI=1S/C74H58N4/c1-43-31-57(51-25-29-61-59-27-23-49(37-63(59)73(5,6)65(61)39-51)47-17-13-19-53(35-47)71-75-41-55-15-9-11-21-67(55)77-71)32-44(2)69(43)70-45(3)33-58(34-46(70)4)52-26-30-62-60-28-24-50(38-64(60)74(7,8)66(62)40-52)48-18-14-20-54(36-48)72-76-42-56-16-10-12-22-68(56)78-72/h9-42H,1-8H3
InChIKeyMZXDZXYFNCEMDL-UHFFFAOYSA-N
XLogP19.09
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001003.31
LogP ≤ 519.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[3-[7-[4-[4-[9,9-dimethyl-7-(3-quinazolin-2-ylphenyl)fluoren-2-yl]-2,6-dimethylphenyl]-3,5-dimethylphenyl]-9,9-dimethylfluoren-2-yl]phenyl]quinazoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[7-[4-[4-[9,9-dimethyl-7-(3-quinazolin-2-ylphenyl)fluoren-2-yl]-2,6-dimethylphenyl]-3,5-dimethylphenyl]-9,9-dimethylfluoren-2-yl]phenyl]quinazoline?
The IUPAC name of 2-[3-[7-[4-[4-[9,9-dimethyl-7-(3-quinazolin-2-ylphenyl)fluoren-2-yl]-2,6-dimethylphenyl]-3,5-dimethylphenyl]-9,9-dimethylfluoren-2-yl]phenyl]quinazoline (CID 58880911) is 2-[3-[7-[4-[4-[9,9-dimethyl-7-(3-quinazolin-2-ylphenyl)fluoren-2-yl]-2,6-dimethylphenyl]-3,5-dimethylphenyl]-9,9-dimethylfluoren-2-yl]phenyl]quinazoline.
What is the SMILES notation for 2-[3-[7-[4-[4-[9,9-dimethyl-7-(3-quinazolin-2-ylphenyl)fluoren-2-yl]-2,6-dimethylphenyl]-3,5-dimethylphenyl]-9,9-dimethylfluoren-2-yl]phenyl]quinazoline?
The canonical SMILES for 2-[3-[7-[4-[4-[9,9-dimethyl-7-(3-quinazolin-2-ylphenyl)fluoren-2-yl]-2,6-dimethylphenyl]-3,5-dimethylphenyl]-9,9-dimethylfluoren-2-yl]phenyl]quinazoline is Cc1cc(-c2ccc3c(c2)C(C)(C)c2cc(-c4cccc(-c5ncc6ccccc6n5)c4)ccc2-3)cc(C)c1-c1c(C)cc(-c2ccc3c(c2)C(C)(C)c2cc(-c4cccc(-c5ncc6ccccc6n5)c4)ccc2-3)cc1C.
What is the InChIKey of 2-[3-[7-[4-[4-[9,9-dimethyl-7-(3-quinazolin-2-ylphenyl)fluoren-2-yl]-2,6-dimethylphenyl]-3,5-dimethylphenyl]-9,9-dimethylfluoren-2-yl]phenyl]quinazoline?
The InChIKey is MZXDZXYFNCEMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H58N4/c1-43-31-57(51-25-29-61-59-27-23-49(37-63(59)73(5,6)65(61)39-51)47-17-13-19-53(35-47)71-75-41-55-15-9-11-21-67(55)77-71)32-44(2)69(43)70-45(3)33-58(34-46(70)4)52-26-30-62-60-28-24-50(38-64(60)74(7,8)66(62)40-52)48-18-14-20-54(36-48)72-76-42-56-16-10-12-22-68(56)78-72/h9-42H,1-8H3.
What are the key properties of 2-[3-[7-[4-[4-[9,9-dimethyl-7-(3-quinazolin-2-ylphenyl)fluoren-2-yl]-2,6-dimethylphenyl]-3,5-dimethylphenyl]-9,9-dimethylfluoren-2-yl]phenyl]quinazoline?
2-[3-[7-[4-[4-[9,9-dimethyl-7-(3-quinazolin-2-ylphenyl)fluoren-2-yl]-2,6-dimethylphenyl]-3,5-dimethylphenyl]-9,9-dimethylfluoren-2-yl]phenyl]quinazoline has a molecular weight of 1003.31 g/mol, XLogP of 19.09, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[7-[4-[4-[9,9-dimethyl-7-(3-quinazolin-2-ylphenyl)fluoren-2-yl]-2,6-dimethylphenyl]-3,5-dimethylphenyl]-9,9-dimethylfluoren-2-yl]phenyl]quinazoline is sourced from PubChem (CID 58880911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).