4-phenyl-2-[4-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]quinazoline

C45H30N2 — CID 122487442

IUPAC4-phenyl-2-[4-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]quinazoline
SMILESc1ccc(-c2ccc(-c3cccc4c3Cc3c(-c5ccc(-c6nc(-c7ccccc7)c7ccccc7n6)cc5)cccc3-4)cc2)cc1
InChIInChI=1S/C45H30N2/c1-3-11-30(12-4-1)31-21-23-32(24-22-31)36-16-9-18-38-39-19-10-17-37(42(39)29-41(36)38)33-25-27-35(28-26-33)45-46-43-20-8-7-15-40(43)44(47-45)34-13-5-2-6-14-34/h1-28H,29H2
InChIKeyZQFWKHALYFDOMC-UHFFFAOYSA-N
MW598.75 g/mol
LogP11.54
Rot. Bonds5

About 4-phenyl-2-[4-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]quinazoline

4-phenyl-2-[4-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]quinazoline (PubChem CID 122487442) has the molecular formula C45H30N2 and a molecular weight of 598.75 g/mol. Its IUPAC name is 4-phenyl-2-[4-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]quinazoline.

Molecular Properties

Compound Name4-phenyl-2-[4-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]quinazoline
PubChem CID122487442
Molecular FormulaC45H30N2
Molecular Weight598.75 g/mol
Exact Mass598.24
IUPAC Name4-phenyl-2-[4-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]quinazoline
SMILESc1ccc(-c2ccc(-c3cccc4c3Cc3c(-c5ccc(-c6nc(-c7ccccc7)c7ccccc7n6)cc5)cccc3-4)cc2)cc1
InChIInChI=1S/C45H30N2/c1-3-11-30(12-4-1)31-21-23-32(24-22-31)36-16-9-18-38-39-19-10-17-37(42(39)29-41(36)38)33-25-27-35(28-26-33)45-46-43-20-8-7-15-40(43)44(47-45)34-13-5-2-6-14-34/h1-28H,29H2
InChIKeyZQFWKHALYFDOMC-UHFFFAOYSA-N
XLogP11.54
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.75
LogP ≤ 511.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-2-(8-triphenylen-2-yl-9H-fluoren-1-yl)quinazoline
CID 122487401
4-[4-[2,3-bis[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]-2-phenylquinazoline
CID 170025871
4-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]quinazoline
CID 155156227
2,4-diphenyl-6-[3-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine;methane
CID 162159408
2-[4-(4-phenylphenyl)phenyl]-4-[3-[3-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]phenyl]phenyl]quinazoline
CID 146825143
2,4-diphenyl-6-[3-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-[3-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine;2-phenyl-4-[3-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-[4-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine;2-phenyl-4-[4-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 158972652
2-phenyl-4-[4-(4-phenylquinazolin-2-yl)phenyl]-5H-indeno[1,2-d]pyrimidine
CID 122487429
2-[4-[8-[4-(4-methylphenyl)phenyl]-9H-fluoren-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 134509781
4-phenyl-2-[3-[2-[2-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]quinazoline
CID 167202663
4-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-1-ylphenyl]phenyl]-2-phenylquinazoline
CID 170025825
methane;2-phenyl-4-(4-phenylphenyl)-6-[3-[8-(3-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine
CID 159922671
4-[4-(2,4-diphenylpyrimidin-5-yl)phenyl]-2-naphthalen-1-ylquinazoline
CID 163860497

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-[4-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]quinazoline?
The IUPAC name of 4-phenyl-2-[4-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]quinazoline (CID 122487442) is 4-phenyl-2-[4-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]quinazoline.
What is the SMILES notation for 4-phenyl-2-[4-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]quinazoline?
The canonical SMILES for 4-phenyl-2-[4-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]quinazoline is c1ccc(-c2ccc(-c3cccc4c3Cc3c(-c5ccc(-c6nc(-c7ccccc7)c7ccccc7n6)cc5)cccc3-4)cc2)cc1.
What is the InChIKey of 4-phenyl-2-[4-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]quinazoline?
The InChIKey is ZQFWKHALYFDOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N2/c1-3-11-30(12-4-1)31-21-23-32(24-22-31)36-16-9-18-38-39-19-10-17-37(42(39)29-41(36)38)33-25-27-35(28-26-33)45-46-43-20-8-7-15-40(43)44(47-45)34-13-5-2-6-14-34/h1-28H,29H2.
What are the key properties of 4-phenyl-2-[4-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]quinazoline?
4-phenyl-2-[4-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]quinazoline has a molecular weight of 598.75 g/mol, XLogP of 11.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-[4-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]quinazoline is sourced from PubChem (CID 122487442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).