2-chloro-4-naphthalen-2-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine

C38H22ClN3 — CID 177297066

IUPAC2-chloro-4-naphthalen-2-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
SMILESClc1nc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)nc(-c2ccc3ccccc3c2)n1
InChIInChI=1S/C38H22ClN3/c39-37-41-35(25-18-17-23-9-1-2-10-24(23)21-25)40-36(42-37)26-19-20-30-29-13-5-8-16-33(29)38(34(30)22-26)31-14-6-3-11-27(31)28-12-4-7-15-32(28)38/h1-22H
InChIKeyOIZLKFVIWKSXQW-UHFFFAOYSA-N
MW556.07 g/mol
LogP9.36
Rot. Bonds2

About 2-chloro-4-naphthalen-2-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine

2-chloro-4-naphthalen-2-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine (PubChem CID 177297066) has the molecular formula C38H22ClN3 and a molecular weight of 556.07 g/mol. Its IUPAC name is 2-chloro-4-naphthalen-2-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-naphthalen-2-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
PubChem CID177297066
Molecular FormulaC38H22ClN3
Molecular Weight556.07 g/mol
Exact Mass555.15
IUPAC Name2-chloro-4-naphthalen-2-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
SMILESClc1nc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)nc(-c2ccc3ccccc3c2)n1
InChIInChI=1S/C38H22ClN3/c39-37-41-35(25-18-17-23-9-1-2-10-24(23)21-25)40-36(42-37)26-19-20-30-29-13-5-8-16-33(29)38(34(30)22-26)31-14-6-3-11-27(31)28-12-4-7-15-32(28)38/h1-22H
InChIKeyOIZLKFVIWKSXQW-UHFFFAOYSA-N
XLogP9.36
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.07
LogP ≤ 59.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-naphthalen-2-yl-4-phenyl-6-[3-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 171592063
2-(9,9'-spirobi[fluorene]-2-yl)-4,6-bis(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine
CID 58273816
2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]
CID 140710700
2,4-dinaphthalen-2-yl-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine
CID 167359528
2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-yl-1,3,5-triazine
CID 146778446
2-naphthalen-2-yl-4-[3-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine
CID 146187821
2,4-diphenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-yl-1,3,5-triazine
CID 149015479
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 153302549
2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 118427115
2-chloro-4-(3-cyclohexa-1,5-dien-3-yn-1-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 166990705
2,4-bis(3-phenylphenyl)-6-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine
CID 146648937
2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2-ylnaphthalen-2-yl)-1,3,5-triazine
CID 129263263

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-naphthalen-2-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-naphthalen-2-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine (CID 177297066) is 2-chloro-4-naphthalen-2-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-naphthalen-2-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-naphthalen-2-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine is Clc1nc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)nc(-c2ccc3ccccc3c2)n1.
What is the InChIKey of 2-chloro-4-naphthalen-2-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine?
The InChIKey is OIZLKFVIWKSXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22ClN3/c39-37-41-35(25-18-17-23-9-1-2-10-24(23)21-25)40-36(42-37)26-19-20-30-29-13-5-8-16-33(29)38(34(30)22-26)31-14-6-3-11-27(31)28-12-4-7-15-32(28)38/h1-22H.
What are the key properties of 2-chloro-4-naphthalen-2-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine?
2-chloro-4-naphthalen-2-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine has a molecular weight of 556.07 g/mol, XLogP of 9.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-naphthalen-2-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine is sourced from PubChem (CID 177297066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).