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

C73H54N4 — CID 58881226

IUPAC2-[3-[7-[7-[9,9-dimethyl-7-(3-quinazolin-2-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]quinazoline
SMILESCC1(C)c2cc(-c3cccc(-c4ncc5ccccc5n4)c3)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7cccc(-c8ncc9ccccc9n8)c7)ccc5-6)ccc3-4)cc21
InChIInChI=1S/C73H54N4/c1-71(2)61-35-45(43-15-11-17-51(33-43)69-74-41-53-13-7-9-19-67(53)76-69)21-27-55(61)57-29-23-47(37-63(57)71)49-25-31-59-60-32-26-50(40-66(60)73(5,6)65(59)39-49)48-24-30-58-56-28-22-46(36-62(56)72(3,4)64(58)38-48)44-16-12-18-52(34-44)70-75-42-54-14-8-10-20-68(54)77-70/h7-42H,1-6H3
InChIKeyUMUKLGPXQKPHDH-UHFFFAOYSA-N
MW987.26 g/mol
LogP18.49
Rot. Bonds6

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

2-[3-[7-[7-[9,9-dimethyl-7-(3-quinazolin-2-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]quinazoline (PubChem CID 58881226) has the molecular formula C73H54N4 and a molecular weight of 987.26 g/mol. Its IUPAC name is 2-[3-[7-[7-[9,9-dimethyl-7-(3-quinazolin-2-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]quinazoline.

Molecular Properties

Compound Name2-[3-[7-[7-[9,9-dimethyl-7-(3-quinazolin-2-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]quinazoline
PubChem CID58881226
Molecular FormulaC73H54N4
Molecular Weight987.26 g/mol
Exact Mass986.43
IUPAC Name2-[3-[7-[7-[9,9-dimethyl-7-(3-quinazolin-2-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]quinazoline
SMILESCC1(C)c2cc(-c3cccc(-c4ncc5ccccc5n4)c3)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7cccc(-c8ncc9ccccc9n8)c7)ccc5-6)ccc3-4)cc21
InChIInChI=1S/C73H54N4/c1-71(2)61-35-45(43-15-11-17-51(33-43)69-74-41-53-13-7-9-19-67(53)76-69)21-27-55(61)57-29-23-47(37-63(57)71)49-25-31-59-60-32-26-50(40-66(60)73(5,6)65(59)39-49)48-24-30-58-56-28-22-46(36-62(56)72(3,4)64(58)38-48)44-16-12-18-52(34-44)70-75-42-54-14-8-10-20-68(54)77-70/h7-42H,1-6H3
InChIKeyUMUKLGPXQKPHDH-UHFFFAOYSA-N
XLogP18.49
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500987.26
LogP ≤ 518.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[3-[7-[7-[9,9-dimethyl-7-(3-quinazolin-2-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-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-[7-[9,9-dimethyl-7-(3-quinazolin-2-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]quinazoline?
The IUPAC name of 2-[3-[7-[7-[9,9-dimethyl-7-(3-quinazolin-2-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]quinazoline (CID 58881226) is 2-[3-[7-[7-[9,9-dimethyl-7-(3-quinazolin-2-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]quinazoline.
What is the SMILES notation for 2-[3-[7-[7-[9,9-dimethyl-7-(3-quinazolin-2-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]quinazoline?
The canonical SMILES for 2-[3-[7-[7-[9,9-dimethyl-7-(3-quinazolin-2-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]quinazoline is CC1(C)c2cc(-c3cccc(-c4ncc5ccccc5n4)c3)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7cccc(-c8ncc9ccccc9n8)c7)ccc5-6)ccc3-4)cc21.
What is the InChIKey of 2-[3-[7-[7-[9,9-dimethyl-7-(3-quinazolin-2-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]quinazoline?
The InChIKey is UMUKLGPXQKPHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H54N4/c1-71(2)61-35-45(43-15-11-17-51(33-43)69-74-41-53-13-7-9-19-67(53)76-69)21-27-55(61)57-29-23-47(37-63(57)71)49-25-31-59-60-32-26-50(40-66(60)73(5,6)65(59)39-49)48-24-30-58-56-28-22-46(36-62(56)72(3,4)64(58)38-48)44-16-12-18-52(34-44)70-75-42-54-14-8-10-20-68(54)77-70/h7-42H,1-6H3.
What are the key properties of 2-[3-[7-[7-[9,9-dimethyl-7-(3-quinazolin-2-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]quinazoline?
2-[3-[7-[7-[9,9-dimethyl-7-(3-quinazolin-2-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]quinazoline has a molecular weight of 987.26 g/mol, XLogP of 18.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[7-[7-[9,9-dimethyl-7-(3-quinazolin-2-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]quinazoline is sourced from PubChem (CID 58881226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).