7-(2-chloro-9-phenylfluoren-9-yl)-2,4,6-triphenylpteridine

C43H27ClN4 — CID 146745993

IUPAC7-(2-chloro-9-phenylfluoren-9-yl)-2,4,6-triphenylpteridine
SMILESClc1ccc2c(c1)C(c1ccccc1)(c1nc3nc(-c4ccccc4)nc(-c4ccccc4)c3nc1-c1ccccc1)c1ccccc1-2
InChIInChI=1S/C43H27ClN4/c44-32-25-26-34-33-23-13-14-24-35(33)43(36(34)27-32,31-21-11-4-12-22-31)40-38(29-17-7-2-8-18-29)45-39-37(28-15-5-1-6-16-28)46-41(48-42(39)47-40)30-19-9-3-10-20-30/h1-27H
InChIKeyRMAFMCDCPQYUQH-UHFFFAOYSA-N
MW635.17 g/mol
LogP10.44
Rot. Bonds5

About 7-(2-chloro-9-phenylfluoren-9-yl)-2,4,6-triphenylpteridine

7-(2-chloro-9-phenylfluoren-9-yl)-2,4,6-triphenylpteridine (PubChem CID 146745993) has the molecular formula C43H27ClN4 and a molecular weight of 635.17 g/mol. Its IUPAC name is 7-(2-chloro-9-phenylfluoren-9-yl)-2,4,6-triphenylpteridine.

Molecular Properties

Compound Name7-(2-chloro-9-phenylfluoren-9-yl)-2,4,6-triphenylpteridine
PubChem CID146745993
Molecular FormulaC43H27ClN4
Molecular Weight635.17 g/mol
Exact Mass634.19
IUPAC Name7-(2-chloro-9-phenylfluoren-9-yl)-2,4,6-triphenylpteridine
SMILESClc1ccc2c(c1)C(c1ccccc1)(c1nc3nc(-c4ccccc4)nc(-c4ccccc4)c3nc1-c1ccccc1)c1ccccc1-2
InChIInChI=1S/C43H27ClN4/c44-32-25-26-34-33-23-13-14-24-35(33)43(36(34)27-32,31-21-11-4-12-22-31)40-38(29-17-7-2-8-18-29)45-39-37(28-15-5-1-6-16-28)46-41(48-42(39)47-40)30-19-9-3-10-20-30/h1-27H
InChIKeyRMAFMCDCPQYUQH-UHFFFAOYSA-N
XLogP10.44
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.17
LogP ≤ 510.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-(2-chloro-9-phenylfluoren-9-yl)-2,4,6-triphenylpteridine with MolForge

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Related Compounds

3-(2-chloro-9-phenylfluoren-9-yl)-2-phenylpyrazino[2,3-b]pyrazine
CID 153407503
6-(2-chloro-9-phenylfluoren-9-yl)-2,4-diphenylpyrido[3,2-d]pyrimidine
CID 153407544
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
2-(9,9-diphenylfluoren-2-yl)-4-[4-(2,6-diphenyl-3-pyridinyl)phenyl]-6-phenyl-1,3,5-triazine
CID 156528933
2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 139521072
2-(9,9-diphenylfluoren-2-yl)-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 122416307
2-(2-chloro-9-phenylfluoren-9-yl)quinoline
CID 153407496
2,4-diphenyl-6-[4-(2,9,9-triphenylfluoren-3-yl)phenyl]-1,3,5-triazine
CID 137413879
2-phenyl-4-[4-(9-phenylfluoren-9-yl)phenyl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 139521231
2-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 139521317
4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine
CID 121450608

Frequently Asked Questions

What is the IUPAC name of 7-(2-chloro-9-phenylfluoren-9-yl)-2,4,6-triphenylpteridine?
The IUPAC name of 7-(2-chloro-9-phenylfluoren-9-yl)-2,4,6-triphenylpteridine (CID 146745993) is 7-(2-chloro-9-phenylfluoren-9-yl)-2,4,6-triphenylpteridine.
What is the SMILES notation for 7-(2-chloro-9-phenylfluoren-9-yl)-2,4,6-triphenylpteridine?
The canonical SMILES for 7-(2-chloro-9-phenylfluoren-9-yl)-2,4,6-triphenylpteridine is Clc1ccc2c(c1)C(c1ccccc1)(c1nc3nc(-c4ccccc4)nc(-c4ccccc4)c3nc1-c1ccccc1)c1ccccc1-2.
What is the InChIKey of 7-(2-chloro-9-phenylfluoren-9-yl)-2,4,6-triphenylpteridine?
The InChIKey is RMAFMCDCPQYUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27ClN4/c44-32-25-26-34-33-23-13-14-24-35(33)43(36(34)27-32,31-21-11-4-12-22-31)40-38(29-17-7-2-8-18-29)45-39-37(28-15-5-1-6-16-28)46-41(48-42(39)47-40)30-19-9-3-10-20-30/h1-27H.
What are the key properties of 7-(2-chloro-9-phenylfluoren-9-yl)-2,4,6-triphenylpteridine?
7-(2-chloro-9-phenylfluoren-9-yl)-2,4,6-triphenylpteridine has a molecular weight of 635.17 g/mol, XLogP of 10.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chloro-9-phenylfluoren-9-yl)-2,4,6-triphenylpteridine is sourced from PubChem (CID 146745993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).