4-phenyl-2-(8-triphenylen-2-yl-9H-fluoren-1-yl)quinazoline

C45H28N2 — CID 122487401

IUPAC4-phenyl-2-(8-triphenylen-2-yl-9H-fluoren-1-yl)quinazoline
SMILESc1ccc(-c2nc(-c3cccc4c3Cc3c(-c5ccc6c7ccccc7c7ccccc7c6c5)cccc3-4)nc3ccccc23)cc1
InChIInChI=1S/C45H28N2/c1-2-12-28(13-3-1)44-39-18-8-9-23-43(39)46-45(47-44)38-22-11-21-36-35-20-10-19-30(41(35)27-42(36)38)29-24-25-37-33-16-5-4-14-31(33)32-15-6-7-17-34(32)40(37)26-29/h1-26H,27H2
InChIKeyNCDMGVRLHYCTDL-UHFFFAOYSA-N
MW596.73 g/mol
LogP11.66
Rot. Bonds3

About 4-phenyl-2-(8-triphenylen-2-yl-9H-fluoren-1-yl)quinazoline

4-phenyl-2-(8-triphenylen-2-yl-9H-fluoren-1-yl)quinazoline (PubChem CID 122487401) has the molecular formula C45H28N2 and a molecular weight of 596.73 g/mol. Its IUPAC name is 4-phenyl-2-(8-triphenylen-2-yl-9H-fluoren-1-yl)quinazoline.

Molecular Properties

Compound Name4-phenyl-2-(8-triphenylen-2-yl-9H-fluoren-1-yl)quinazoline
PubChem CID122487401
Molecular FormulaC45H28N2
Molecular Weight596.73 g/mol
Exact Mass596.23
IUPAC Name4-phenyl-2-(8-triphenylen-2-yl-9H-fluoren-1-yl)quinazoline
SMILESc1ccc(-c2nc(-c3cccc4c3Cc3c(-c5ccc6c7ccccc7c7ccccc7c6c5)cccc3-4)nc3ccccc23)cc1
InChIInChI=1S/C45H28N2/c1-2-12-28(13-3-1)44-39-18-8-9-23-43(39)46-45(47-44)38-22-11-21-36-35-20-10-19-30(41(35)27-42(36)38)29-24-25-37-33-16-5-4-14-31(33)32-15-6-7-17-34(32)40(37)26-29/h1-26H,27H2
InChIKeyNCDMGVRLHYCTDL-UHFFFAOYSA-N
XLogP11.66
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.73
LogP ≤ 511.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-phenyl-2-[4-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]quinazoline
CID 122487442
2-phenanthren-1-yl-4-(4-phenylphenyl)quinazoline
CID 118487412
4-phenyl-2-[3-[2-[2-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]quinazoline
CID 167202663
2-(7-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-4-(4-phenylphenyl)quinazoline
CID 167087669
18-(3-triphenylen-2-ylphenyl)hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17,19,21,24-dodecaene
CID 58489376
2-triphenylen-2-yl-4-[6-(4-triphenylen-2-ylquinazolin-2-yl)naphthalen-2-yl]quinazoline
CID 163611723
2-[8-(2-methylphenyl)-9H-fluoren-1-yl]triphenylene
CID 157108614
2,11-bis(9H-fluoren-1-yl)triphenylene
CID 59489264
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
4-[4-[2,3-bis[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]-2-phenylquinazoline
CID 170025871
19-triphenylen-2-ylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
CID 58489419
2-[3-(9H-fluoren-1-yl)-5-phenylphenyl]triphenylene;2-[3-(9H-fluoren-1-yl)phenyl]triphenylene;2-(9H-fluoren-1-yl)triphenylene;2-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]triphenylene
CID 160799240

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-(8-triphenylen-2-yl-9H-fluoren-1-yl)quinazoline?
The IUPAC name of 4-phenyl-2-(8-triphenylen-2-yl-9H-fluoren-1-yl)quinazoline (CID 122487401) is 4-phenyl-2-(8-triphenylen-2-yl-9H-fluoren-1-yl)quinazoline.
What is the SMILES notation for 4-phenyl-2-(8-triphenylen-2-yl-9H-fluoren-1-yl)quinazoline?
The canonical SMILES for 4-phenyl-2-(8-triphenylen-2-yl-9H-fluoren-1-yl)quinazoline is c1ccc(-c2nc(-c3cccc4c3Cc3c(-c5ccc6c7ccccc7c7ccccc7c6c5)cccc3-4)nc3ccccc23)cc1.
What is the InChIKey of 4-phenyl-2-(8-triphenylen-2-yl-9H-fluoren-1-yl)quinazoline?
The InChIKey is NCDMGVRLHYCTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N2/c1-2-12-28(13-3-1)44-39-18-8-9-23-43(39)46-45(47-44)38-22-11-21-36-35-20-10-19-30(41(35)27-42(36)38)29-24-25-37-33-16-5-4-14-31(33)32-15-6-7-17-34(32)40(37)26-29/h1-26H,27H2.
What are the key properties of 4-phenyl-2-(8-triphenylen-2-yl-9H-fluoren-1-yl)quinazoline?
4-phenyl-2-(8-triphenylen-2-yl-9H-fluoren-1-yl)quinazoline has a molecular weight of 596.73 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-phenyl-2-(8-triphenylen-2-yl-9H-fluoren-1-yl)quinazoline is sourced from PubChem (CID 122487401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).