4-[4-(11H-benzo[a]fluoren-2-yl)phenyl]-2-(9,9-dimethylfluoren-2-yl)quinazoline

C46H32N2 — CID 155326669

IUPAC4-[4-(11H-benzo[a]fluoren-2-yl)phenyl]-2-(9,9-dimethylfluoren-2-yl)quinazoline
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc(-c5ccc6ccc7c(c6c5)Cc5ccccc5-7)cc4)c4ccccc4n3)cc21
InChIInChI=1S/C46H32N2/c1-46(2)41-13-7-5-11-36(41)37-24-22-33(27-42(37)46)45-47-43-14-8-6-12-38(43)44(48-45)30-18-15-28(16-19-30)31-20-17-29-21-23-35-34-10-4-3-9-32(34)26-40(35)39(29)25-31/h3-25,27H,26H2,1-2H3
InChIKeyJXHAKSJLWWALCC-UHFFFAOYSA-N
MW612.78 g/mol
LogP11.66
Rot. Bonds3

About 4-[4-(11H-benzo[a]fluoren-2-yl)phenyl]-2-(9,9-dimethylfluoren-2-yl)quinazoline

4-[4-(11H-benzo[a]fluoren-2-yl)phenyl]-2-(9,9-dimethylfluoren-2-yl)quinazoline (PubChem CID 155326669) has the molecular formula C46H32N2 and a molecular weight of 612.78 g/mol. Its IUPAC name is 4-[4-(11H-benzo[a]fluoren-2-yl)phenyl]-2-(9,9-dimethylfluoren-2-yl)quinazoline.

Molecular Properties

Compound Name4-[4-(11H-benzo[a]fluoren-2-yl)phenyl]-2-(9,9-dimethylfluoren-2-yl)quinazoline
PubChem CID155326669
Molecular FormulaC46H32N2
Molecular Weight612.78 g/mol
Exact Mass612.26
IUPAC Name4-[4-(11H-benzo[a]fluoren-2-yl)phenyl]-2-(9,9-dimethylfluoren-2-yl)quinazoline
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc(-c5ccc6ccc7c(c6c5)Cc5ccccc5-7)cc4)c4ccccc4n3)cc21
InChIInChI=1S/C46H32N2/c1-46(2)41-13-7-5-11-36(41)37-24-22-33(27-42(37)46)45-47-43-14-8-6-12-38(43)44(48-45)30-18-15-28(16-19-30)31-20-17-29-21-23-35-34-10-4-3-9-32(34)26-40(35)39(29)25-31/h3-25,27H,26H2,1-2H3
InChIKeyJXHAKSJLWWALCC-UHFFFAOYSA-N
XLogP11.66
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.78
LogP ≤ 511.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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-(11H-benzo[b]fluoren-2-yl)-2-(9,9-dimethylfluoren-2-yl)quinazoline
CID 154589148
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-(9,9-dimethylfluoren-2-yl)-4-[3-(9H-fluoren-1-yl)-5-(4-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 118685337
2-[4-(16,16-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(23),17,19,21,24-dodecaenyl)phenyl]-4-(4-phenylphenyl)quinazoline
CID 118472825
2-(7-bromo-9,9-dimethylfluoren-2-yl)-4-phenylquinazoline;2-(4-bromophenyl)-4-phenylquinazoline
CID 158631648
2-[3-(9,9-dimethylfluoren-2-yl)-5-(9H-fluoren-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;methane
CID 161494558
4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylquinazoline;2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c][1,5]naphthyridine;2-phenanthren-3-yl-4-(3-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 165096089
4-[9,9-dimethyl-7-(1,3,5-triazin-2-yl)fluoren-2-yl]-2-(4-phenylphenyl)quinazoline
CID 163917077
1-(9,9-dimethylfluoren-2-yl)-6-[4-(9H-fluoren-1-yl)phenyl]pyrene
CID 143920877
2-(10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)-4-phenylquinazoline
CID 138574402
2-[4-(19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)phenyl]-4-(4-phenylphenyl)quinazoline
CID 118472989

Frequently Asked Questions

What is the IUPAC name of 4-[4-(11H-benzo[a]fluoren-2-yl)phenyl]-2-(9,9-dimethylfluoren-2-yl)quinazoline?
The IUPAC name of 4-[4-(11H-benzo[a]fluoren-2-yl)phenyl]-2-(9,9-dimethylfluoren-2-yl)quinazoline (CID 155326669) is 4-[4-(11H-benzo[a]fluoren-2-yl)phenyl]-2-(9,9-dimethylfluoren-2-yl)quinazoline.
What is the SMILES notation for 4-[4-(11H-benzo[a]fluoren-2-yl)phenyl]-2-(9,9-dimethylfluoren-2-yl)quinazoline?
The canonical SMILES for 4-[4-(11H-benzo[a]fluoren-2-yl)phenyl]-2-(9,9-dimethylfluoren-2-yl)quinazoline is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc(-c5ccc6ccc7c(c6c5)Cc5ccccc5-7)cc4)c4ccccc4n3)cc21.
What is the InChIKey of 4-[4-(11H-benzo[a]fluoren-2-yl)phenyl]-2-(9,9-dimethylfluoren-2-yl)quinazoline?
The InChIKey is JXHAKSJLWWALCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N2/c1-46(2)41-13-7-5-11-36(41)37-24-22-33(27-42(37)46)45-47-43-14-8-6-12-38(43)44(48-45)30-18-15-28(16-19-30)31-20-17-29-21-23-35-34-10-4-3-9-32(34)26-40(35)39(29)25-31/h3-25,27H,26H2,1-2H3.
What are the key properties of 4-[4-(11H-benzo[a]fluoren-2-yl)phenyl]-2-(9,9-dimethylfluoren-2-yl)quinazoline?
4-[4-(11H-benzo[a]fluoren-2-yl)phenyl]-2-(9,9-dimethylfluoren-2-yl)quinazoline has a molecular weight of 612.78 g/mol, XLogP of 11.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(11H-benzo[a]fluoren-2-yl)phenyl]-2-(9,9-dimethylfluoren-2-yl)quinazoline is sourced from PubChem (CID 155326669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).