5,8-di(fluoranthen-3-yl)-6,7-dihydropteridine

C38H24N4 — CID 90076689

IUPAC5,8-di(fluoranthen-3-yl)-6,7-dihydropteridine
SMILESc1ccc2c(c1)-c1cccc3c(N4CCN(c5ccc6c7c(cccc57)-c5ccccc5-6)c5ncncc54)ccc-2c13
InChIInChI=1S/C38H24N4/c1-3-9-25-23(7-1)27-11-5-13-31-33(17-15-29(25)36(27)31)41-19-20-42(38-35(41)21-39-22-40-38)34-18-16-30-26-10-4-2-8-24(26)28-12-6-14-32(34)37(28)30/h1-18,21-22H,19-20H2
InChIKeyYMNFHWFNDSQHQC-UHFFFAOYSA-N
MW536.64 g/mol
LogP9.37
Rot. Bonds2

About 5,8-di(fluoranthen-3-yl)-6,7-dihydropteridine

5,8-di(fluoranthen-3-yl)-6,7-dihydropteridine (PubChem CID 90076689) has the molecular formula C38H24N4 and a molecular weight of 536.64 g/mol. Its IUPAC name is 5,8-di(fluoranthen-3-yl)-6,7-dihydropteridine.

Molecular Properties

Compound Name5,8-di(fluoranthen-3-yl)-6,7-dihydropteridine
PubChem CID90076689
Molecular FormulaC38H24N4
Molecular Weight536.64 g/mol
Exact Mass536.20
IUPAC Name5,8-di(fluoranthen-3-yl)-6,7-dihydropteridine
SMILESc1ccc2c(c1)-c1cccc3c(N4CCN(c5ccc6c7c(cccc57)-c5ccccc5-6)c5ncncc54)ccc-2c13
InChIInChI=1S/C38H24N4/c1-3-9-25-23(7-1)27-11-5-13-31-33(17-15-29(25)36(27)31)41-19-20-42(38-35(41)21-39-22-40-38)34-18-16-30-26-10-4-2-8-24(26)28-12-6-14-32(34)37(28)30/h1-18,21-22H,19-20H2
InChIKeyYMNFHWFNDSQHQC-UHFFFAOYSA-N
XLogP9.37
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.64
LogP ≤ 59.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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2-[3,5-di(fluoranthen-3-yl)phenyl]-1,3,5-triazine
CID 144968008
7-phenyl-9-pyridin-3-yl-8H-purine
CID 58556336
7-(2-methylphenyl)-9-phenyl-8H-purine
CID 58556269
5,8-bis(3-imidazo[1,2-a]pyridin-2-ylphenyl)-6,7-dihydropteridine
CID 90046118
4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-5-amine
CID 79910683
4,12-di(carbazol-9-yl)-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
CID 122466267
2,3-di(carbazol-9-yl)-9-fluoranthen-3-ylcarbazole
CID 121475489
6-fluoranthen-3-yl-6-azaheptacyclo[15.12.0.02,14.05,13.07,12.018,23.024,29]nonacosa-1(17),2(14),3,5(13),7,9,11,15,18,20,22,24,26,28-tetradecaene
CID 154597967
2-fluoranthen-3-yl-2,10,20-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaene
CID 134604638
8-pyrrolidin-1-yl-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione
CID 15538594
3-(2-bromophenyl)fluoranthene
CID 58390376

Frequently Asked Questions

What is the IUPAC name of 5,8-di(fluoranthen-3-yl)-6,7-dihydropteridine?
The IUPAC name of 5,8-di(fluoranthen-3-yl)-6,7-dihydropteridine (CID 90076689) is 5,8-di(fluoranthen-3-yl)-6,7-dihydropteridine.
What is the SMILES notation for 5,8-di(fluoranthen-3-yl)-6,7-dihydropteridine?
The canonical SMILES for 5,8-di(fluoranthen-3-yl)-6,7-dihydropteridine is c1ccc2c(c1)-c1cccc3c(N4CCN(c5ccc6c7c(cccc57)-c5ccccc5-6)c5ncncc54)ccc-2c13.
What is the InChIKey of 5,8-di(fluoranthen-3-yl)-6,7-dihydropteridine?
The InChIKey is YMNFHWFNDSQHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N4/c1-3-9-25-23(7-1)27-11-5-13-31-33(17-15-29(25)36(27)31)41-19-20-42(38-35(41)21-39-22-40-38)34-18-16-30-26-10-4-2-8-24(26)28-12-6-14-32(34)37(28)30/h1-18,21-22H,19-20H2.
What are the key properties of 5,8-di(fluoranthen-3-yl)-6,7-dihydropteridine?
5,8-di(fluoranthen-3-yl)-6,7-dihydropteridine has a molecular weight of 536.64 g/mol, XLogP of 9.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-di(fluoranthen-3-yl)-6,7-dihydropteridine is sourced from PubChem (CID 90076689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).