6-(2-chloro-9-phenylfluoren-9-yl)-2,4-diphenylpyrido[3,2-d]pyrimidine

C38H24ClN3 — CID 153407544

IUPAC6-(2-chloro-9-phenylfluoren-9-yl)-2,4-diphenylpyrido[3,2-d]pyrimidine
SMILESClc1ccc2c(c1)C(c1ccccc1)(c1ccc3nc(-c4ccccc4)nc(-c4ccccc4)c3n1)c1ccccc1-2
InChIInChI=1S/C38H24ClN3/c39-28-20-21-30-29-18-10-11-19-31(29)38(32(30)24-28,27-16-8-3-9-17-27)34-23-22-33-36(41-34)35(25-12-4-1-5-13-25)42-37(40-33)26-14-6-2-7-15-26/h1-24H
InChIKeyRAXORTFWSJABNB-UHFFFAOYSA-N
MW558.08 g/mol
LogP9.38
Rot. Bonds4

About 6-(2-chloro-9-phenylfluoren-9-yl)-2,4-diphenylpyrido[3,2-d]pyrimidine

6-(2-chloro-9-phenylfluoren-9-yl)-2,4-diphenylpyrido[3,2-d]pyrimidine (PubChem CID 153407544) has the molecular formula C38H24ClN3 and a molecular weight of 558.08 g/mol. Its IUPAC name is 6-(2-chloro-9-phenylfluoren-9-yl)-2,4-diphenylpyrido[3,2-d]pyrimidine.

Molecular Properties

Compound Name6-(2-chloro-9-phenylfluoren-9-yl)-2,4-diphenylpyrido[3,2-d]pyrimidine
PubChem CID153407544
Molecular FormulaC38H24ClN3
Molecular Weight558.08 g/mol
Exact Mass557.17
IUPAC Name6-(2-chloro-9-phenylfluoren-9-yl)-2,4-diphenylpyrido[3,2-d]pyrimidine
SMILESClc1ccc2c(c1)C(c1ccccc1)(c1ccc3nc(-c4ccccc4)nc(-c4ccccc4)c3n1)c1ccccc1-2
InChIInChI=1S/C38H24ClN3/c39-28-20-21-30-29-18-10-11-19-31(29)38(32(30)24-28,27-16-8-3-9-17-27)34-23-22-33-36(41-34)35(25-12-4-1-5-13-25)42-37(40-33)26-14-6-2-7-15-26/h1-24H
InChIKeyRAXORTFWSJABNB-UHFFFAOYSA-N
XLogP9.38
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.08
LogP ≤ 59.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-(2-chloro-9-phenylfluoren-9-yl)-2,4,6-triphenylpteridine
CID 146745993
2-(2-chloro-9-phenylfluoren-9-yl)quinoline
CID 153407496
3-(2-chloro-9-phenylfluoren-9-yl)-2-phenylpyrazino[2,3-b]pyrazine
CID 153407503
6-(11,11-diphenylbenzo[b]fluoren-6-yl)-2,4-diphenylquinazoline
CID 154589173
2-(3-chloro-9-phenylfluoren-9-yl)-3-phenylquinoxaline
CID 153407493
4-(9,9-diphenylfluoren-2-yl)-6-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-2-phenylpyrimidine
CID 168777762
6-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]quinoline
CID 151110061
3-(11,11-diphenylbenzo[b]fluoren-7-yl)-1-phenylbenzo[f]quinazoline
CID 155465505
2-(9,9-diphenylfluoren-2-yl)-4-[4-(2,6-diphenyl-3-pyridinyl)phenyl]-6-phenyl-1,3,5-triazine
CID 156528933
2-(9,9-diphenylfluoren-2-yl)-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 122416307
2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 139521072
4-[3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]-2-(4-phenylphenyl)quinazoline
CID 130375125

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-9-phenylfluoren-9-yl)-2,4-diphenylpyrido[3,2-d]pyrimidine?
The IUPAC name of 6-(2-chloro-9-phenylfluoren-9-yl)-2,4-diphenylpyrido[3,2-d]pyrimidine (CID 153407544) is 6-(2-chloro-9-phenylfluoren-9-yl)-2,4-diphenylpyrido[3,2-d]pyrimidine.
What is the SMILES notation for 6-(2-chloro-9-phenylfluoren-9-yl)-2,4-diphenylpyrido[3,2-d]pyrimidine?
The canonical SMILES for 6-(2-chloro-9-phenylfluoren-9-yl)-2,4-diphenylpyrido[3,2-d]pyrimidine is Clc1ccc2c(c1)C(c1ccccc1)(c1ccc3nc(-c4ccccc4)nc(-c4ccccc4)c3n1)c1ccccc1-2.
What is the InChIKey of 6-(2-chloro-9-phenylfluoren-9-yl)-2,4-diphenylpyrido[3,2-d]pyrimidine?
The InChIKey is RAXORTFWSJABNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24ClN3/c39-28-20-21-30-29-18-10-11-19-31(29)38(32(30)24-28,27-16-8-3-9-17-27)34-23-22-33-36(41-34)35(25-12-4-1-5-13-25)42-37(40-33)26-14-6-2-7-15-26/h1-24H.
What are the key properties of 6-(2-chloro-9-phenylfluoren-9-yl)-2,4-diphenylpyrido[3,2-d]pyrimidine?
6-(2-chloro-9-phenylfluoren-9-yl)-2,4-diphenylpyrido[3,2-d]pyrimidine has a molecular weight of 558.08 g/mol, XLogP of 9.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-9-phenylfluoren-9-yl)-2,4-diphenylpyrido[3,2-d]pyrimidine is sourced from PubChem (CID 153407544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).