4-[9,9-dimethyl-7-(1,3,5-triazin-2-yl)fluoren-2-yl]-2-(4-phenylphenyl)quinazoline

C38H27N5 — CID 163917077

IUPAC4-[9,9-dimethyl-7-(1,3,5-triazin-2-yl)fluoren-2-yl]-2-(4-phenylphenyl)quinazoline
SMILESCC1(C)c2cc(-c3ncncn3)ccc2-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc4ccccc34)cc21
InChIInChI=1S/C38H27N5/c1-38(2)32-20-27(16-18-29(32)30-19-17-28(21-33(30)38)36-40-22-39-23-41-36)35-31-10-6-7-11-34(31)42-37(43-35)26-14-12-25(13-15-26)24-8-4-3-5-9-24/h3-23H,1-2H3
InChIKeyQXEYNBPMZJEZLH-UHFFFAOYSA-N
MW553.67 g/mol
LogP8.79
Rot. Bonds4

About 4-[9,9-dimethyl-7-(1,3,5-triazin-2-yl)fluoren-2-yl]-2-(4-phenylphenyl)quinazoline

4-[9,9-dimethyl-7-(1,3,5-triazin-2-yl)fluoren-2-yl]-2-(4-phenylphenyl)quinazoline (PubChem CID 163917077) has the molecular formula C38H27N5 and a molecular weight of 553.67 g/mol. Its IUPAC name is 4-[9,9-dimethyl-7-(1,3,5-triazin-2-yl)fluoren-2-yl]-2-(4-phenylphenyl)quinazoline.

Molecular Properties

Compound Name4-[9,9-dimethyl-7-(1,3,5-triazin-2-yl)fluoren-2-yl]-2-(4-phenylphenyl)quinazoline
PubChem CID163917077
Molecular FormulaC38H27N5
Molecular Weight553.67 g/mol
Exact Mass553.23
IUPAC Name4-[9,9-dimethyl-7-(1,3,5-triazin-2-yl)fluoren-2-yl]-2-(4-phenylphenyl)quinazoline
SMILESCC1(C)c2cc(-c3ncncn3)ccc2-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc4ccccc34)cc21
InChIInChI=1S/C38H27N5/c1-38(2)32-20-27(16-18-29(32)30-19-17-28(21-33(30)38)36-40-22-39-23-41-36)35-31-10-6-7-11-34(31)42-37(43-35)26-14-12-25(13-15-26)24-8-4-3-5-9-24/h3-23H,1-2H3
InChIKeyQXEYNBPMZJEZLH-UHFFFAOYSA-N
XLogP8.79
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.67
LogP ≤ 58.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-(3-phenylphenyl)quinazoline;2-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenylquinazoline
CID 167612820
4-(7-bromo-9,9-dimethylfluoren-2-yl)-2-phenylquinazoline
CID 129208486
2-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-4-phenylquinazoline
CID 118472845
2-(7-bromo-9,9-dimethylfluoren-2-yl)-4-phenylquinazoline;2-(4-bromophenyl)-4-phenylquinazoline
CID 158631648
9,9-dimethyl-7-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-(4-phenylquinazolin-2-yl)phenyl]fluorene-2-carbonitrile
CID 171421810
4-(11H-benzo[b]fluoren-2-yl)-2-(9,9-dimethylfluoren-2-yl)quinazoline
CID 154589148
2-(9,9-dimethylfluoren-2-yl)-4-(4-phenylphenyl)-1,3,5-triazine
CID 118245460
2,4-bis(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 59188587
2-(9,9-dimethylfluoren-2-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 58233424
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 162196088
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-1,3,5-triazine
CID 118245468
2-phenyl-4-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]quinazoline
CID 167177421

Frequently Asked Questions

What is the IUPAC name of 4-[9,9-dimethyl-7-(1,3,5-triazin-2-yl)fluoren-2-yl]-2-(4-phenylphenyl)quinazoline?
The IUPAC name of 4-[9,9-dimethyl-7-(1,3,5-triazin-2-yl)fluoren-2-yl]-2-(4-phenylphenyl)quinazoline (CID 163917077) is 4-[9,9-dimethyl-7-(1,3,5-triazin-2-yl)fluoren-2-yl]-2-(4-phenylphenyl)quinazoline.
What is the SMILES notation for 4-[9,9-dimethyl-7-(1,3,5-triazin-2-yl)fluoren-2-yl]-2-(4-phenylphenyl)quinazoline?
The canonical SMILES for 4-[9,9-dimethyl-7-(1,3,5-triazin-2-yl)fluoren-2-yl]-2-(4-phenylphenyl)quinazoline is CC1(C)c2cc(-c3ncncn3)ccc2-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc4ccccc34)cc21.
What is the InChIKey of 4-[9,9-dimethyl-7-(1,3,5-triazin-2-yl)fluoren-2-yl]-2-(4-phenylphenyl)quinazoline?
The InChIKey is QXEYNBPMZJEZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27N5/c1-38(2)32-20-27(16-18-29(32)30-19-17-28(21-33(30)38)36-40-22-39-23-41-36)35-31-10-6-7-11-34(31)42-37(43-35)26-14-12-25(13-15-26)24-8-4-3-5-9-24/h3-23H,1-2H3.
What are the key properties of 4-[9,9-dimethyl-7-(1,3,5-triazin-2-yl)fluoren-2-yl]-2-(4-phenylphenyl)quinazoline?
4-[9,9-dimethyl-7-(1,3,5-triazin-2-yl)fluoren-2-yl]-2-(4-phenylphenyl)quinazoline has a molecular weight of 553.67 g/mol, XLogP of 8.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9,9-dimethyl-7-(1,3,5-triazin-2-yl)fluoren-2-yl]-2-(4-phenylphenyl)quinazoline is sourced from PubChem (CID 163917077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).