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

C40H28N2 — CID 154589148

IUPAC4-(11H-benzo[b]fluoren-2-yl)-2-(9,9-dimethylfluoren-2-yl)quinazoline
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc5c(c4)Cc4cc6ccccc6cc4-5)c4ccccc4n3)cc21
InChIInChI=1S/C40H28N2/c1-40(2)35-13-7-5-11-31(35)32-18-16-27(23-36(32)40)39-41-37-14-8-6-12-33(37)38(42-39)26-15-17-30-28(20-26)21-29-19-24-9-3-4-10-25(24)22-34(29)30/h3-20,22-23H,21H2,1-2H3
InChIKeyCFXYMBSQKVDZFP-UHFFFAOYSA-N
MW536.68 g/mol
LogP9.99
Rot. Bonds2

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

4-(11H-benzo[b]fluoren-2-yl)-2-(9,9-dimethylfluoren-2-yl)quinazoline (PubChem CID 154589148) has the molecular formula C40H28N2 and a molecular weight of 536.68 g/mol. Its IUPAC name is 4-(11H-benzo[b]fluoren-2-yl)-2-(9,9-dimethylfluoren-2-yl)quinazoline.

Molecular Properties

Compound Name4-(11H-benzo[b]fluoren-2-yl)-2-(9,9-dimethylfluoren-2-yl)quinazoline
PubChem CID154589148
Molecular FormulaC40H28N2
Molecular Weight536.68 g/mol
Exact Mass536.23
IUPAC Name4-(11H-benzo[b]fluoren-2-yl)-2-(9,9-dimethylfluoren-2-yl)quinazoline
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc5c(c4)Cc4cc6ccccc6cc4-5)c4ccccc4n3)cc21
InChIInChI=1S/C40H28N2/c1-40(2)35-13-7-5-11-31(35)32-18-16-27(23-36(32)40)39-41-37-14-8-6-12-33(37)38(42-39)26-15-17-30-28(20-26)21-29-19-24-9-3-4-10-25(24)22-34(29)30/h3-20,22-23H,21H2,1-2H3
InChIKeyCFXYMBSQKVDZFP-UHFFFAOYSA-N
XLogP9.99
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.68
LogP ≤ 59.99
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-[4-(11H-benzo[a]fluoren-2-yl)phenyl]-2-(9,9-dimethylfluoren-2-yl)quinazoline
CID 155326669
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
4-(9,9-dimethylfluoren-2-yl)quinazolin-2-amine
CID 146421035
4-(7-bromo-9,9-dimethylfluoren-2-yl)-2-phenylquinazoline
CID 129208486
4-[9,9-dimethyl-7-(1,3,5-triazin-2-yl)fluoren-2-yl]-2-(4-phenylphenyl)quinazoline
CID 163917077
2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-yl)-4-(9,9-dimethylfluoren-2-yl)quinazoline
CID 140907283
2-[3-[6-(9,9-dimethylfluoren-2-yl)-9H-fluoren-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121241565
2-(7-bromo-9,9-dimethylfluoren-2-yl)-4-phenylquinazoline;2-(4-bromophenyl)-4-phenylquinazoline
CID 158631648
12-[4-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 139362236
2-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 118426889
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

Frequently Asked Questions

What is the IUPAC name of 4-(11H-benzo[b]fluoren-2-yl)-2-(9,9-dimethylfluoren-2-yl)quinazoline?
The IUPAC name of 4-(11H-benzo[b]fluoren-2-yl)-2-(9,9-dimethylfluoren-2-yl)quinazoline (CID 154589148) is 4-(11H-benzo[b]fluoren-2-yl)-2-(9,9-dimethylfluoren-2-yl)quinazoline.
What is the SMILES notation for 4-(11H-benzo[b]fluoren-2-yl)-2-(9,9-dimethylfluoren-2-yl)quinazoline?
The canonical SMILES for 4-(11H-benzo[b]fluoren-2-yl)-2-(9,9-dimethylfluoren-2-yl)quinazoline is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc5c(c4)Cc4cc6ccccc6cc4-5)c4ccccc4n3)cc21.
What is the InChIKey of 4-(11H-benzo[b]fluoren-2-yl)-2-(9,9-dimethylfluoren-2-yl)quinazoline?
The InChIKey is CFXYMBSQKVDZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28N2/c1-40(2)35-13-7-5-11-31(35)32-18-16-27(23-36(32)40)39-41-37-14-8-6-12-33(37)38(42-39)26-15-17-30-28(20-26)21-29-19-24-9-3-4-10-25(24)22-34(29)30/h3-20,22-23H,21H2,1-2H3.
What are the key properties of 4-(11H-benzo[b]fluoren-2-yl)-2-(9,9-dimethylfluoren-2-yl)quinazoline?
4-(11H-benzo[b]fluoren-2-yl)-2-(9,9-dimethylfluoren-2-yl)quinazoline has a molecular weight of 536.68 g/mol, XLogP of 9.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(11H-benzo[b]fluoren-2-yl)-2-(9,9-dimethylfluoren-2-yl)quinazoline is sourced from PubChem (CID 154589148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).